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Chemical ID: 4074894

Chemical ID:

4074894

Name [?]:

N-(2-hydroxy-2-phenyl-ethyl)thiophene-2-sulfonamide

SMILES [?]:

c1ccc(cc1)C(CNS(=O)(=O)c2cccs2)O

InChi [?]:

InChI=1/C12H13NO3S2/c14-11(10-5-2-1-3-6-10)9-13-18(15,16)12-7-4-8-17-12/h1-8,11,13-14H,9H2

InChi Info:

AuxInfo=1/0/N:1,2,6,15,3,5,14,16,8,4,7,13,9,18,11,12,17,10/E:(2,3)(5,6)(15,16)/CRV:18.6/rA:18cCCCCCCCCNSOOCCCCSO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;d10;s10;d13;s14;d15;s13s16;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₃NO₃S₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	8.296
Area:	465.068
Solvation:	-3.33071
Coulombic:	-31.1774

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	283.369
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.04
LogP (Chemaxon):	1.92

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value