Chemical ID: 5019782

c1cc(cc(c1)Br)NS(=O)(=O)c2ccc(cc2)N3C(=O)CCC3=O
Chemical ID:
5019782
Name [?]:
N-(3-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)Br)NS(=O)(=O)c2ccc(cc2)N3C(=O)CCC3=O
InChi [?]:
InChI=1/C16H13BrN2O4S/c17-11-2-1-3-12(10-11)18-24(22,23)14-6-4-13(5-7-14)19-15(20)8-9-16(19)21/h1-7,10,18H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,6,2,14,16,13,17,21,22,4,5,3,15,12,19,23,7,8,18,20,24,10,11,9/E:(4,5)(6,7)(8,9)(15,16)(20,21)(22,23)/CRV:24.6/rA:24nCCCCCCBrNSOOCCCCCCNCOCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;s18s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrN2O4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.12705
Area:531.437
Solvation:-4.15888
Coulombic:-34.3657
Bond Count [?]
All:26
Single:16
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:409.255
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.23
LogP (Chemaxon):2.21

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