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Chemical ID: 7280991

CCOc1ccc(cc1)NS(=O)(=O)c2cc(ccc2C)C(=O)NC3CC3

Chemical ID:

7280991

Name [?]:

N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-benzamide

SMILES [?]:

CCOc1ccc(cc1)NS(=O)(=O)c2cc(ccc2C)C(=O)NC3CC3

InChi [?]:

InChI=1/C19H22N2O4S/c1-3-25-17-10-8-16(9-11-17)21-26(23,24)18-12-14(5-4-13(18)2)19(22)20-15-6-7-15/h4-5,8-12,15,21H,3,6-7H2,1-2H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,20,2,18,17,25,26,6,8,5,9,15,19,16,24,7,4,14,21,23,10,22,12,13,3,11/E:(6,7)(8,9)(10,11)(23,24)/CRV:26.6/rA:26nCCOCCCCCCNSOOCCCCCCCCONCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s19;s16;d21;s21;s23;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂N₂O₄S
All Atoms:	48
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4228
Area:	584.653
Solvation:	-4.19358
Coulombic:	-40.9938

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	374.455
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.23
LogP (Chemaxon):	2.46

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