ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4101393

Chemical ID:

4101393

Name [?]:

N-phenethylthiophene-2-sulfonamide

SMILES [?]:

c1ccc(cc1)CCNS(=O)(=O)c2cccs2

InChi [?]:

InChI=1/C12H13NO2S2/c14-17(15,12-7-4-10-16-12)13-9-8-11-5-2-1-3-6-11/h1-7,10,13H,8-9H2

InChi Info:

AuxInfo=1/0/N:1,2,6,15,3,5,14,7,8,16,4,13,9,11,12,17,10/E:(2,3)(5,6)(14,15)/CRV:17.6/rA:17nCCCCCCCCNSOOCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;d10;s10;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₃NO₂S₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	9.16571
Area:	451.718
Solvation:	-2.12724
Coulombic:	-14.7377

Bond Count [?]

All:	18
Single:	11
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	267.369
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.8
LogP (Chemaxon):	2.55

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