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

C19H21ClN2O3S — CID 99956462

IUPACN-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESC[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)C1
InChIInChI=1S/C19H21ClN2O3S/c1-14-6-5-11-22(13-14)19(23)17-12-15(9-10-18(17)20)21-26(24,25)16-7-3-2-4-8-16/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3/t14-/m0/s1
InChIKeyMWVUOEAYVQWFSG-AWEZNQCLSA-N
MW392.91 g/mol
LogP4.01
Rot. Bonds4

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

N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 99956462) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID99956462
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESC[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)C1
InChIInChI=1S/C19H21ClN2O3S/c1-14-6-5-11-22(13-14)19(23)17-12-15(9-10-18(17)20)21-26(24,25)16-7-3-2-4-8-16/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3/t14-/m0/s1
InChIKeyMWVUOEAYVQWFSG-AWEZNQCLSA-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-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
CID 99952888
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 41368481
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347547
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide
CID 132662900
4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 18160418
3,4-dichloro-N-[2-(3-methylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 86878824

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide (CID 99956462) is N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide is C[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)C1.
What is the InChIKey of N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is MWVUOEAYVQWFSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-6-5-11-22(13-14)19(23)17-12-15(9-10-18(17)20)21-26(24,25)16-7-3-2-4-8-16/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3/t14-/m0/s1.
What are the key properties of N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
N-[4-chloro-3-[(3S)-3-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-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 99956462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).