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Chemical ID: 4682225

Chemical ID:

4682225

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)NCC(c2ccccc2)O

InChi [?]:

InChI=1/C15H17NO3S/c1-12-7-9-14(10-8-12)20(18,19)16-11-15(17)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,17,16,18,15,19,3,7,4,6,12,2,14,5,13,11,20,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(18,19)/CRV:20.6/rA:20cCCCCCCCSOONCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇NO₃S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	9.1841
Area:	490.785
Solvation:	-3.08554
Coulombic:	-31.5159

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	291.366
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.41
LogP (Chemaxon):	2.8

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