N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride

C14H21Cl2N3O3S — CID 119722447

IUPACN-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C14H20ClN3O3S.ClH/c1-22(20,21)17-9-11-4-2-3-7-18(11)14(19)12-6-5-10(16)8-13(12)15;/h5-6,8,11,17H,2-4,7,9,16H2,1H3;1H
InChIKeyDIRPLDZTRWWZPE-UHFFFAOYSA-N
MW382.31 g/mol
LogP1.89
Rot. Bonds4

About N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride

N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride (PubChem CID 119722447) has the molecular formula C14H21Cl2N3O3S and a molecular weight of 382.31 g/mol. Its IUPAC name is N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
PubChem CID119722447
Molecular FormulaC14H21Cl2N3O3S
Molecular Weight382.31 g/mol
Exact Mass381.07
IUPAC NameN-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C14H20ClN3O3S.ClH/c1-22(20,21)17-9-11-4-2-3-7-18(11)14(19)12-6-5-10(16)8-13(12)15;/h5-6,8,11,17H,2-4,7,9,16H2,1H3;1H
InChIKeyDIRPLDZTRWWZPE-UHFFFAOYSA-N
XLogP1.89
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 51.89
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

(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 120622886
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 115645845
N-[[(2R)-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 124883784
(2-chloro-4-iodophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649834
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104741635

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride (CID 119722447) is N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCC1CCCCN1C(=O)c1ccc(N)cc1Cl.Cl.
What is the InChIKey of N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride?
The InChIKey is DIRPLDZTRWWZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S.ClH/c1-22(20,21)17-9-11-4-2-3-7-18(11)14(19)12-6-5-10(16)8-13(12)15;/h5-6,8,11,17H,2-4,7,9,16H2,1H3;1H.
What are the key properties of N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride?
N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride has a molecular weight of 382.31 g/mol, XLogP of 1.89, 4 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-2-yl]methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119722447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).