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Chemical ID: 4066508

Chemical ID:

4066508

Name [?]:

5-bromo-N-(1-methylbutyl)thiophene-2-sulfonamide

SMILES [?]:

CCCC(C)NS(=O)(=O)c1ccc(s1)Br

InChi [?]:

InChI=1/C9H14BrNO2S2/c1-3-4-7(2)11-15(12,13)9-6-5-8(10)14-9/h5-7,11H,3-4H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,3,12,11,4,13,10,15,6,8,9,14,7/E:(12,13)/CRV:15.6/rA:15cCCCCCNSOOCCCCSBr/rB:s1;s2;s3;s4;s4;s6;d7;d7;s7;d10;s11;d12;s10s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₉H₁₄BrNO₂S₂
All Atoms:	15
Heavy Atoms:	15
Chiral Atoms:	1

ZAP Information [?]

Total:	9.07322
Area:	428.124
Solvation:	-1.62989
Coulombic:	-13.6786

Bond Count [?]

All:	15
Single:	11
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	312.249
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.17
LogP (Chemaxon):	2.86

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