N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide

C17H25ClN2O3S — CID 126779567

IUPACN-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide
SMILESNC1CCC(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CC1
InChIInChI=1S/C17H25ClN2O3S/c18-13-3-8-16(23-10-9-12-1-2-12)17(11-13)24(21,22)20-15-6-4-14(19)5-7-15/h3,8,11-12,14-15,20H,1-2,4-7,9-10,19H2
InChIKeyFETYJMUDFDRJQM-UHFFFAOYSA-N
MW372.92 g/mol
LogP3.07
Rot. Bonds7

About N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide

N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide (PubChem CID 126779567) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide
PubChem CID126779567
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC NameN-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide
SMILESNC1CCC(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CC1
InChIInChI=1S/C17H25ClN2O3S/c18-13-3-8-16(23-10-9-12-1-2-12)17(11-13)24(21,22)20-15-6-4-14(19)5-7-15/h3,8,11-12,14-15,20H,1-2,4-7,9-10,19H2
InChIKeyFETYJMUDFDRJQM-UHFFFAOYSA-N
XLogP3.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride
CID 165460566
5-chloro-2-(2-cyclopropylethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825342
3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide
CID 167930626
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119970980
5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide
CID 126772761
5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 154755410
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide
CID 172893941
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
CID 62415700
(3S)-1-[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonyl-3-(difluoromethoxy)pyrrolidine
CID 126812285
5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid
CID 165453775

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide (CID 126779567) is N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide is NC1CCC(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide?
The InChIKey is FETYJMUDFDRJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c18-13-3-8-16(23-10-9-12-1-2-12)17(11-13)24(21,22)20-15-6-4-14(19)5-7-15/h3,8,11-12,14-15,20H,1-2,4-7,9-10,19H2.
What are the key properties of N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide?
N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide has a molecular weight of 372.92 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide is sourced from PubChem (CID 126779567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).