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Chemical ID: 4074904

Chemical ID:

4074904

Name [?]:

4-cyano-N-(2-hydroxy-2-phenyl-ethyl)-benzenesulfonamide

SMILES [?]:

c1ccc(cc1)C(CNS(=O)(=O)c2ccc(cc2)C#N)O

InChi [?]:

InChI=1/C15H14N2O3S/c16-10-12-6-8-14(9-7-12)21(19,20)17-11-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,11H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,15,17,14,18,19,8,16,4,13,7,20,9,21,11,12,10/E:(2,3)(4,5)(6,7)(8,9)(19,20)/CRV:21.6/rA:21cCCCCCCCCNSOOCCCCCCCNO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;t19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄N₂O₃S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.86693
Area:	511.497
Solvation:	-3.92049
Coulombic:	-33.6176

Bond Count [?]

All:	22
Single:	13
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	302.349
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.7
LogP (Chemaxon):	2.15

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