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Chemical ID: 7280991
Chemical ID:
7280991
Name [?]:
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-benzamide
SMILES [?]:
CCOc1ccc(cc1)NS(=O)(=O)c2cc(ccc2C)C(=O)NC3CC3
InChi [?]:
InChI=1/C19H22N2O4S/c1-3-25-17-10-8-16(9-11-17)21-26(23,24)18-12-14(5-4-13(18)2)19(22)20-15-6-7-15/h4-5,8-12,15,21H,3,6-7H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,2,18,17,25,26,6,8,5,9,15,19,16,24,7,4,14,21,23,10,22,12,13,3,11/E:(6,7)(8,9)(10,11)(23,24)/CRV:26.6/rA:26nCCOCCCCCCNSOOCCCCCCCCONCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s19;s16;d21;s21;s23;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O4S |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4228 |
Area: | 584.653 |
Solvation: | -4.19358 |
Coulombic: | -40.9938 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 374.455 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.23 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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