Chemical ID: 6216791

CC1(Cc2c(sc(n2)NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)C(=O)C1)C
Chemical ID:
6216791
Name [?]:
N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILES [?]:
CC1(Cc2c(sc(n2)NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)C(=O)C1)C
InChi [?]:
InChI=1/C18H21N3O4S2/c1-18(2)9-13-15(14(22)10-18)26-17(19-13)20-16(23)11-5-7-12(8-6-11)27(24,25)21(3)4/h5-8H,9-10H2,1-4H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,27,22,23,13,17,14,16,3,26,12,15,4,24,5,10,7,2,8,9,21,25,11,19,20,6,18/E:(1,2)(3,4)(5,6)(7,8)(24,25)/CRV:27.6/rA:27nCCCCCSCNNCOCCCCCCSOONCCCOCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;d18;s18;s21;s21;s5;d24;s2s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O4S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4533
Area:597.902
Solvation:-4.49424
Coulombic:-40.6736
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.509
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.55
LogP (Chemaxon):1.83

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Descriptor Annotations

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