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Chemical ID: 7528572
Chemical ID:
7528572
Name [?]:
3-chloro-4-methoxy-N-[3-(methyl-methylsulfonyl-amino)phenyl]-benzenesulfonamide
SMILES [?]:
CN(c1cccc(c1)NS(=O)(=O)c2ccc(c(c2)Cl)OC)S(=O)(=O)C
InChi [?]:
InChI=1/C15H17ClN2O5S2/c1-18(24(3,19)20)12-6-4-5-11(9-12)17-25(21,22)13-7-8-15(23-2)14(16)10-13/h4-10,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,25,5,6,4,14,15,8,18,7,3,13,17,16,19,9,2,23,24,11,12,20,22,10/E:(19,20)(21,22)/CRV:24.6,25.6/rA:25cCNCCCCCCNSOOCCCCCCClOCSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s16;s20;s2;d22;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17ClN2O5S2 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.75929 |
Area: | 570.44 |
Solvation: | -5.50171 |
Coulombic: | -22.8182 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.06 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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