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Chemical ID: 7259350
Chemical ID:
7259350
Name [?]:
3-ethylsulfonylamino-N-(2-iodo-5-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
CCS(=O)(=O)Nc1cccc(c1)S(=O)(=O)Nc2cc(ccc2I)C
InChi [?]:
InChI=1/C15H17IN2O4S2/c1-3-23(19,20)17-12-5-4-6-13(10-12)24(21,22)18-15-9-11(2)7-8-14(15)16/h4-10,17-18H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,9,8,10,20,21,18,12,19,7,11,22,17,23,6,16,4,5,14,15,3,13/E:(19,20)(21,22)/CRV:23.6,24.6/rA:24nCCSOONCCCCCCSOONCCCCCCIC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;d7s11;s11;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17IN2O4S2 |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2774 |
Area: | 541.373 |
Solvation: | -3.25693 |
Coulombic: | -22.4971 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 480.343 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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