Chemical ID: 6609098

c1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)C(=O)N3CCCC3)Cl
Chemical ID:
6609098
Name [?]:
N-(2-chlorophenyl)-4-pyrrolidin-1-ylcarbonyl-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)C(=O)N3CCCC3)Cl
InChi [?]:
InChI=1/C17H17ClN2O3S/c18-15-5-1-2-6-16(15)19-24(22,23)14-9-7-13(8-10-14)17(21)20-11-3-4-12-20/h1-2,5-10,19H,3-4,11-12H2
InChi Info:
AuxInfo=1/0/N:2,1,21,22,3,6,13,15,12,16,20,23,14,11,4,5,17,24,7,19,18,9,10,8/E:(3,4)(7,8)(9,10)(11,12)(22,23)/CRV:24.6/rA:24nCCCCCCNSOOCCCCCCCONCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;s21;s19s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6836
Area:537.329
Solvation:-2.74957
Coulombic:-31.0041
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.847
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.39
LogP (Chemaxon):2.6

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Descriptor Annotations

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