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

C19H21ClN2O3S — CID 30398633

IUPACN-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O3S/c1-14-9-11-22(12-10-14)19(23)17-13-15(7-8-18(17)20)21-26(24,25)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3
InChIKeyAHQNBYVWRXNQAH-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.01
Rot. Bonds4

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

N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 30398633) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID30398633
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O3S/c1-14-9-11-22(12-10-14)19(23)17-13-15(7-8-18(17)20)21-26(24,25)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3
InChIKeyAHQNBYVWRXNQAH-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
CID 99952888
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 46772956
N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide
CID 28632123
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 99953294
4-chloro-3-(4-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397242
N-[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 118582208
N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 92673000
3,4-dichloro-N-[2-(3-methylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 86878824
N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24540046

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 30398633) is N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is CC1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1.
What is the InChIKey of N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is AHQNBYVWRXNQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-9-11-22(12-10-14)19(23)17-13-15(7-8-18(17)20)21-26(24,25)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3.
What are the key properties of N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide?
N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 30398633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).