2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

C19H20Cl2N2O3S — CID 55347547

IUPAC2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-3-2-10-23(12-13)19(24)14-4-9-17(21)18(11-14)27(25,26)22-16-7-5-15(20)6-8-16/h4-9,11,13,22H,2-3,10,12H2,1H3
InChIKeyJUZNRKXPZPIWED-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.67
Rot. Bonds4

About 2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 55347547) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID55347547
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-3-2-10-23(12-13)19(24)14-4-9-17(21)18(11-14)27(25,26)22-16-7-5-15(20)6-8-16/h4-9,11,13,22H,2-3,10,12H2,1H3
InChIKeyJUZNRKXPZPIWED-UHFFFAOYSA-N
XLogP4.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78798212
2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 41368476
2-chloro-N-(2-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347642
methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 55350196
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylphenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 78799951
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-chloro-N-methylbenzenesulfonamide
CID 9294647

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 55347547) is 2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is JUZNRKXPZPIWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-13-3-2-10-23(12-13)19(24)14-4-9-17(21)18(11-14)27(25,26)22-16-7-5-15(20)6-8-16/h4-9,11,13,22H,2-3,10,12H2,1H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 427.35 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55347547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).