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Chemical ID: 5019782
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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