N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide

C20H23ClN2O3S — CID 132662900

IUPACN-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)C1
InChIInChI=1S/C20H23ClN2O3S/c1-15-7-6-12-23(14-15)20(24)18-11-10-16(13-19(18)21)22(2)27(25,26)17-8-4-3-5-9-17/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3
InChIKeyNBXVYVQGVJKYFH-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.04
Rot. Bonds4

About N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide

N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 132662900) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID132662900
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)C1
InChIInChI=1S/C20H23ClN2O3S/c1-15-7-6-12-23(14-15)20(24)18-11-10-16(13-19(18)21)22(2)27(25,26)17-8-4-3-5-9-17/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3
InChIKeyNBXVYVQGVJKYFH-UHFFFAOYSA-N
XLogP4.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 125043302
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide
CID 53278229
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 132658407
N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1107832
4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 78800534
(2-chloro-4-nitrophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3605259
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
2-chloro-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoic acid
CID 100552922

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide (CID 132662900) is N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide is CC1CCCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)C1.
What is the InChIKey of N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is NBXVYVQGVJKYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-15-7-6-12-23(14-15)20(24)18-11-10-16(13-19(18)21)22(2)27(25,26)17-8-4-3-5-9-17/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3.
What are the key properties of N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide?
N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 132662900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).