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Chemical ID: 5398362

Cc1cccc(c1C)NS(=O)(=O)c2cc(ccc2C)C(=O)N3CCOCC3

Chemical ID:

5398362

Name [?]:

N-(2,3-dimethylphenyl)-2-methyl-5-morpholinocarbonyl-benzenesulfonamide

SMILES [?]:

Cc1cccc(c1C)NS(=O)(=O)c2cc(ccc2C)C(=O)N3CCOCC3

InChi [?]:

InChI=1/C20H24N2O4S/c1-14-5-4-6-18(16(14)3)21-27(24,25)19-13-17(8-7-15(19)2)20(23)22-9-11-26-12-10-22/h4-8,13,21H,9-12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,8,4,3,5,17,16,23,27,24,26,14,2,18,7,15,6,13,20,9,22,21,11,12,25,10/E:(9,10)(11,12)(24,25)/CRV:27.6/rA:27nCCCCCCCCNSOOCCCCCCCCONCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₄S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0041
Area:	566.773
Solvation:	-4.16526
Coulombic:	-37.4319

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	388.482
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.75
LogP (Chemaxon):	2.81

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