4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide

C17H18Cl2N2O4S2 — CID 60532674

IUPAC4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H18Cl2N2O4S2/c1-12-10-13(18)4-7-16(12)26(22,23)20-14-5-6-15(19)17(11-14)27(24,25)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3
InChIKeyJIHAOOBLZRWWLA-UHFFFAOYSA-N
MW449.38 g/mol
LogP3.89
Rot. Bonds5

About 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide

4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide (PubChem CID 60532674) has the molecular formula C17H18Cl2N2O4S2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
PubChem CID60532674
Molecular FormulaC17H18Cl2N2O4S2
Molecular Weight449.38 g/mol
Exact Mass448.01
IUPAC Name4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H18Cl2N2O4S2/c1-12-10-13(18)4-7-16(12)26(22,23)20-14-5-6-15(19)17(11-14)27(24,25)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3
InChIKeyJIHAOOBLZRWWLA-UHFFFAOYSA-N
XLogP3.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 26978979
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
5-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 55603645
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636345
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 126395837
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887
4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396495
2,3,5,6-tetramethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 3914905
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 55678464
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 4882272

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide (CID 60532674) is 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is JIHAOOBLZRWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S2/c1-12-10-13(18)4-7-16(12)26(22,23)20-14-5-6-15(19)17(11-14)27(24,25)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3.
What are the key properties of 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide?
4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 449.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 60532674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).