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Chemical ID: 7265926

Cc1cccc(c1C)NC(=O)c2cccc(c2)S(=O)(=O)Nc3ccc(cc3)OC

Chemical ID:

7265926

Name [?]:

N-(2,3-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)c2cccc(c2)S(=O)(=O)Nc3ccc(cc3)OC

InChi [?]:

InChI=1/C22H22N2O4S/c1-15-6-4-9-21(16(15)2)23-22(25)17-7-5-8-20(14-17)29(26,27)24-18-10-12-19(28-3)13-11-18/h4-14,24H,1-3H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,8,29,4,14,3,13,15,5,23,27,24,26,17,2,7,12,22,25,16,6,10,9,21,11,19,20,28,18/E:(10,11)(12,13)(26,27)/CRV:29.6/rA:29nCCCCCCCCNCOCCCCCCSOONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂N₂O₄S
All Atoms:	51
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0767
Area:	620.216
Solvation:	-4.42865
Coulombic:	-41.2866

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	410.487
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.26
LogP (Chemaxon):	3.7

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value