Chemical ID: 7145743

c1cc(ccc1Cc2cc[nH+]cc2)NS(=O)(=O)c3ccc(cc3)Br
Chemical ID:
7145743
Name [?]:
4-bromo-N-[4-(1H-pyridin-4-ylmethyl)phenyl]-benzenesulfonamide
SMILES [?]:
c1cc(ccc1Cc2cc[nH+]cc2)NS(=O)(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C18H15BrN2O2S/c19-16-3-7-18(8-4-16)24(22,23)21-17-5-1-14(2-6-17)13-15-9-11-20-12-10-15/h1-12,21H,13H2/p+1
InChi Info:
AuxInfo=1/1/N:1,5,20,22,2,4,19,23,9,13,10,12,7,6,8,21,3,18,24,11,14,16,17,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(22,23)/CRV:24.6/rA:24nCCCCCCCCCCN+CCNSOOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s3;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16BrN2O2S+
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-22.5509
Area:542.571
Solvation:-36.1152
Coulombic:-3.60764
Bond Count [?]
All:26
Single:15
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:404.302
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.23
LogP (Chemaxon):4.17

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Descriptor Annotations

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