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Chemical ID: 4424249
Chemical ID:
4424249
Name [?]:
2-(4-chlorophenyl)sulfonylamino-N-isopropyl-benzamide
SMILES [?]:
CC(C)NC(=O)c1ccccc1NS(=O)(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H17ClN2O3S/c1-11(2)18-16(20)14-5-3-4-6-15(14)19-23(21,22)13-9-7-12(17)8-10-13/h3-11,19H,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,9,10,8,11,19,21,18,22,2,20,17,7,12,5,23,4,13,6,15,16,14/E:(1,2)(7,8)(9,10)(21,22)/CRV:23.6/rA:23nCCCNCOCCCCCCNSOOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClN2O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8695 |
Area: | 533.422 |
Solvation: | -2.46603 |
Coulombic: | -35.8041 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.837 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.05 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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