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Chemical ID: 3967010
Chemical ID:
3967010
Name [?]:
4-chloro-N-(2-methylindolin-1-yl)-3-sulfamoyl-benzamide
SMILES [?]:
CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl
InChi [?]:
InChI=1/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,15,16,3,19,2,4,14,17,9,18,12,24,23,11,10,13,21,22,20/E:(22,23)/CRV:24.6/rA:24cCCCCCCCCCNNCOCCCCCCSOONCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;d20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClN3O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.25631 |
Area: | 540.712 |
Solvation: | -4.2615 |
Coulombic: | -37.0717 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 365.835 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.16 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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