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Chemical ID: 6217493

Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)Nc3nc4c(s3)C(=O)CC(C4)(C)C

Chemical ID:

6217493

Name [?]:

N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-2-(p-tolylsulfonylamino)benzamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)Nc3nc4c(s3)C(=O)CC(C4)(C)C

InChi [?]:

InChI=1/C23H23N3O4S2/c1-14-8-10-15(11-9-14)32(29,30)26-17-7-5-4-6-16(17)21(28)25-22-24-18-12-23(2,3)13-19(27)20(18)31-22/h4-11,26H,12-13H2,1-3H3,(H,24,25,28)

InChi Info:

AuxInfo=1/1/N:1,31,32,15,14,16,13,3,7,4,6,30,28,2,5,17,12,23,26,24,18,21,29,22,20,11,27,19,9,10,25,8/E:(2,3)(8,9)(10,11)(29,30)/CRV:32.6/rA:32nCCCCCCCSOONCCCCCCCONCNCCSCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;d21;s22;d23;s21s24;s24;d26;s26;s28;s23s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃N₃O₄S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.288
Area:	659.599
Solvation:	-4.202
Coulombic:	-47.4693

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	469.579
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.02
LogP (Chemaxon):	3.74

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value