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Chemical ID: 7259966

Chemical ID:

7259966

Name [?]:

4-acetyl-N-(4-bromo-3-methyl-phenyl)-benzenesulfonamide

SMILES [?]:

Cc1cc(ccc1Br)NS(=O)(=O)c2ccc(cc2)C(=O)C

InChi [?]:

InChI=1/C15H14BrNO3S/c1-10-9-13(5-8-15(10)16)17-21(19,20)14-6-3-12(4-7-14)11(2)18/h3-9,17H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,15,17,5,14,18,6,3,2,19,16,4,13,7,8,9,20,11,12,10/E:(3,4)(6,7)(19,20)/CRV:21.6/rA:21nCCCCCCCBrNSOOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄BrNO₃S
All Atoms:	35
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.52156
Area:	497.018
Solvation:	-2.9039
Coulombic:	-20.2784

Bond Count [?]

All:	22
Single:	13
Double:	9
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	368.247
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.58
LogP (Chemaxon):	3.18

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