N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

C15H22ClN3O3S — CID 119475665

IUPACN-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCC(N)CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3S/c1-19(23(21,22)14-8-2-11(16)3-9-14)10-15(20)18-13-6-4-12(17)5-7-13/h2-3,8-9,12-13H,4-7,10,17H2,1H3,(H,18,20)
InChIKeyRAFHEUPIEQFBOK-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.35
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 119475665) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID119475665
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCC(N)CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3S/c1-19(23(21,22)14-8-2-11(16)3-9-14)10-15(20)18-13-6-4-12(17)5-7-13/h2-3,8-9,12-13H,4-7,10,17H2,1H3,(H,18,20)
InChIKeyRAFHEUPIEQFBOK-UHFFFAOYSA-N
XLogP1.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
CID 120600077
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119610103
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
CID 28536702
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
CID 98775845
N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide
CID 47079939
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 114614334
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (CID 119475665) is N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NC1CCC(N)CC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is RAFHEUPIEQFBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-19(23(21,22)14-8-2-11(16)3-9-14)10-15(20)18-13-6-4-12(17)5-7-13/h2-3,8-9,12-13H,4-7,10,17H2,1H3,(H,18,20).
What are the key properties of N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 359.88 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 119475665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).