N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide

C13H18ClN3O3S — CID 61107146

IUPACN-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2ccc(N)cc2Cl)C1
InChIInChI=1S/C13H18ClN3O3S/c1-21(19,20)16-10-3-2-6-17(8-10)13(18)11-5-4-9(15)7-12(11)14/h4-5,7,10,16H,2-3,6,8,15H2,1H3
InChIKeyHLGSOCWAHGNCRN-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.08
Rot. Bonds3

About N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide

N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide (PubChem CID 61107146) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
PubChem CID61107146
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC NameN-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2ccc(N)cc2Cl)C1
InChIInChI=1S/C13H18ClN3O3S/c1-21(19,20)16-10-3-2-6-17(8-10)13(18)11-5-4-9(15)7-12(11)14/h4-5,7,10,16H,2-3,6,8,15H2,1H3
InChIKeyHLGSOCWAHGNCRN-UHFFFAOYSA-N
XLogP1.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81231053
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079114
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 119793545
[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109975
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(4-amino-2-chlorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119771955
(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489697
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide (CID 61107146) is N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)c2ccc(N)cc2Cl)C1.
What is the InChIKey of N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is HLGSOCWAHGNCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-21(19,20)16-10-3-2-6-17(8-10)13(18)11-5-4-9(15)7-12(11)14/h4-5,7,10,16H,2-3,6,8,15H2,1H3.
What are the key properties of N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide?
N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 331.83 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 61107146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).