Chemical ID: 6491129

c1cc(cc(c1)S(=O)(=O)NCc2ccc(cc2)S(=O)(=O)N)N
Chemical ID:
6491129
Name [?]:
3-amino-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NCc2ccc(cc2)S(=O)(=O)N)N
InChi [?]:
InChI=1/C13H15N3O4S2/c14-11-2-1-3-13(8-11)22(19,20)16-9-10-4-6-12(7-5-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,17,14,16,4,11,12,3,15,5,22,21,10,19,20,8,9,18,7/E:(4,5)(6,7)(17,18)(19,20)/CRV:21.6,22.6/rA:22nCCCCCCSOONCCCCCCCSOONN/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;d18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N3O4S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.52396
Area:526.521
Solvation:-3.63908
Coulombic:-44.8266
Bond Count [?]
All:23
Single:13
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:341.408
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:0.22
LogP (Chemaxon):0.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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