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Chemical ID: 3891885

CCOc1ccc(cc1)CN(C2CC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N4CCCCCC4

Chemical ID:

3891885

Name [?]:

4-azepan-1-ylsulfonyl-N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide

SMILES [?]:

CCOc1ccc(cc1)CN(C2CC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N4CCCCCC4

InChi [?]:

InChI=1/C24H32N2O5S2/c1-2-31-22-11-7-20(8-12-22)19-26(21-9-10-21)33(29,30)24-15-13-23(14-16-24)32(27,28)25-17-5-3-4-6-18-25/h7-8,11-16,21H,2-6,9-10,17-19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,30,31,29,32,6,8,13,14,5,9,20,22,19,23,28,33,10,7,12,4,21,18,27,11,25,26,16,17,3,24,15/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(27,28)(29,30)/CRV:32.6,33.6/rA:33cCCOCCCCCCCNCCCSOOCCCCCCSOONCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s12s13;s11;d15;d15;s15;s18;d19;s20;d21;d18s22;s21;d24;d24;s24;s27;s28;s29;s30;s31;s27s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₂O₅S₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.542
Area:	693.367
Solvation:	-4.79217
Coulombic:	-22.8106

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	492.653
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.01
LogP (Chemaxon):	3.68

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value