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Chemical ID: 4197028
Chemical ID:
4197028
Name [?]:
2-[(4-methoxyphenyl)sulfonyl-phenyl-amino]acetamide
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccccc2
InChi [?]:
InChI=1/C15H16N2O4S/c1-21-13-7-9-14(10-8-13)22(19,20)17(11-15(16)18)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,16,18)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,4,8,5,7,13,17,3,6,14,16,12,15,10,11,2,9/E:(3,4)(5,6)(7,8)(9,10)(19,20)/CRV:22.6/rA:22cCOCCCCCCSOONCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s14;s12;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O4S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.16101 |
Area: | 493.682 |
Solvation: | -5.18103 |
Coulombic: | -39.4363 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.365 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.85 |
LogP (Chemaxon): | 1.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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