Chemical ID: 6837111

c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3cc[nH+]cc3
Chemical ID:
6837111
Name [?]:
4-(3-chlorophenyl)sulfonylamino-N-(1H-pyridin-4-yl)benzamide
SMILES [?]:
c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3cc[nH+]cc3
InChi [?]:
InChI=1/C18H14ClN3O3S/c19-14-2-1-3-17(12-14)26(24,25)22-16-6-4-13(5-7-16)18(23)21-15-8-10-20-11-9-15/h1-12,22H,(H,20,21,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,6,2,14,16,13,17,22,26,23,25,4,15,5,21,12,3,18,7,24,20,11,19,9,10,8/E:(4,5)(6,7)(8,9)(10,11)(24,25)/CRV:26.6/rA:26nCCCCCCClSOONCCCCCCCONCCCN+CC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN3O3S+
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-22.4674
Area:580.002
Solvation:-36.9674
Coulombic:-23.0464
Bond Count [?]
All:28
Single:16
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.849
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.06
LogP (Chemaxon):2.87

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Descriptor Annotations

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