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Chemical ID: 7289017

Chemical ID:

7289017

Name [?]:

N-[(2-chlorophenyl)methyl]-4-cyano-benzenesulfonamide

SMILES [?]:

c1ccc(c(c1)CNS(=O)(=O)c2ccc(cc2)C#N)Cl

InChi [?]:

InChI=1/C14H11ClN2O2S/c15-14-4-2-1-3-12(14)10-17-20(18,19)13-7-5-11(9-16)6-8-13/h1-8,17H,10H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,14,16,13,17,18,7,15,5,12,4,20,19,8,10,11,9/E:(5,6)(7,8)(18,19)/CRV:20.6/rA:20nCCCCCCCNSOOCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;t18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁ClN₂O₂S
All Atoms:	31
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.77484
Area:	490.744
Solvation:	-2.49375
Coulombic:	-17.5234

Bond Count [?]

All:	21
Single:	12
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	306.768
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.93
LogP (Chemaxon):	3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value