Chemical ID: 7259350

CCS(=O)(=O)Nc1cccc(c1)S(=O)(=O)Nc2cc(ccc2I)C
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

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Descriptor Annotations

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