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Chemical ID: 6609098
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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