N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide

C15H21ClN2O3S — CID 92680658

IUPACN-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCC1(C)CCCN(C(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-15(2)7-4-8-18(10-15)14(19)11-5-6-13(12(16)9-11)17-22(3,20)21/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyHWXLGJBOIVQCGQ-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.97
Rot. Bonds3

About N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide

N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 92680658) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID92680658
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCC1(C)CCCN(C(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-15(2)7-4-8-18(10-15)14(19)11-5-6-13(12(16)9-11)17-22(3,20)21/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyHWXLGJBOIVQCGQ-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-(4-formylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 99956126
(3-chloro-4-nitrophenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 82780227
(3-chloro-4-iodophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 103222128
N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46770608
(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734697
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615061
(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104782959
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
CID 49191872
(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 65286838

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide (CID 92680658) is N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide is CC1(C)CCCN(C(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)C1.
What is the InChIKey of N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is HWXLGJBOIVQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-15(2)7-4-8-18(10-15)14(19)11-5-6-13(12(16)9-11)17-22(3,20)21/h5-6,9,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide?
N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 92680658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).