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Chemical ID: 7265805
Chemical ID:
7265805
Name [?]:
N-cyclopropyl-4-(4-fluoro-3-methyl-phenyl)sulfonylamino-benzamide
SMILES [?]:
Cc1cc(ccc1F)S(=O)(=O)Nc2ccc(cc2)C(=O)NC3CC3
InChi [?]:
InChI=1/C17H17FN2O3S/c1-11-10-15(8-9-16(11)18)24(22,23)20-14-4-2-12(3-5-14)17(21)19-13-6-7-13/h2-5,8-10,13,20H,6-7H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,15,17,14,18,23,24,5,6,3,2,16,22,13,4,7,19,8,21,12,20,10,11,9/E:(2,3)(4,5)(6,7)(22,23)/CRV:24.6/rA:24nCCCCCCCFSOONCCCCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17FN2O3S |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.72995 |
Area: | 536.222 |
Solvation: | -3.67561 |
Coulombic: | -37.4785 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 348.393 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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