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Chemical ID: 6507137

Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=NO)c3ccccc3)Cl

Chemical ID:

6507137

Name [?]:

N-[4-chloro-2-(hydroxyimino-phenyl-methyl)-phenyl]-4-methyl-benzenesulfonamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=NO)c3ccccc3)Cl

InChi [?]:

InChI=1/C20H17ClN2O3S/c1-14-7-10-17(11-8-14)27(25,26)23-19-12-9-16(21)13-18(19)20(22-24)15-5-3-2-4-6-15/h2-13,23-24H,1H3

InChi Info:

AuxInfo=1/0/N:1,24,23,25,22,26,3,7,14,4,6,13,16,2,21,15,5,17,12,18,27,19,11,20,9,10,8/E:(3,4)(5,6)(7,8)(10,11)(25,26)/CRV:27.6/rA:27nCCCCCCCSOONCCCCCCCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;w18;s19;s18;s21;d22;s23;d24;d21s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇ClN₂O₃S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7897
Area:	581.139
Solvation:	-2.73876
Coulombic:	-28.7763

Bond Count [?]

All:	29
Single:	17
Double:	12
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	400.879
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.57
LogP (Chemaxon):	4.63

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

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

Chemical Mix	Source	External ID	Descriptor	Value