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Chemical ID: 6482643

COCCN(C1CCN(CC1)S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccc(cc3)Cl

Chemical ID:

6482643

Name [?]:

4-chloro-N-(2-methoxyethyl)-N-(1-phenylsulfonyl-4-piperidyl)-benzenesulfonamide

SMILES [?]:

COCCN(C1CCN(CC1)S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C20H25ClN2O5S2/c1-28-16-15-23(30(26,27)20-9-7-17(21)8-10-20)18-11-13-22(14-12-18)29(24,25)19-5-3-2-4-6-19/h2-10,18H,11-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,18,17,19,16,20,26,28,25,29,7,11,8,10,4,3,27,6,15,24,30,9,5,13,14,22,23,2,12,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25)(26,27)/CRV:29.6,30.6/rA:30cCOCCNCCCNCCSOOCCCCCCSOOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s9;d12;d12;s12;s15;d16;s17;d18;d15s19;s5;d21;d21;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅ClN₂O₅S₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.1946
Area:	626.799
Solvation:	-4.47541
Coulombic:	-24.0762

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	473.008
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.99
LogP (Chemaxon):	2.52

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value