N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide

C19H22ClNO4S2 — CID 154878133

IUPACN-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H22ClNO4S2/c1-13-6-9-18(26(2,22)23)12-19(13)27(24,25)21-17-8-7-15(11-17)14-4-3-5-16(20)10-14/h3-6,9-10,12,15,17,21H,7-8,11H2,1-2H3
InChIKeyCOSGRYGHNWFZAH-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.67
Rot. Bonds5

About N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide

N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 154878133) has the molecular formula C19H22ClNO4S2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
PubChem CID154878133
Molecular FormulaC19H22ClNO4S2
Molecular Weight427.98 g/mol
Exact Mass427.07
IUPAC NameN-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H22ClNO4S2/c1-13-6-9-18(26(2,22)23)12-19(13)27(24,25)21-17-8-7-15(11-17)14-4-3-5-16(20)10-14/h3-6,9-10,12,15,17,21H,7-8,11H2,1-2H3
InChIKeyCOSGRYGHNWFZAH-UHFFFAOYSA-N
XLogP3.67
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490
5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 95984034
1-chloro-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533532
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 124694470
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
2-methyl-N-(3-methylcyclopentyl)-5-nitrobenzenesulfonamide
CID 114545232
1-chloro-3-cyclopropylbenzene;trifluoromethanesulfonic acid
CID 87246766
2-methyl-5-methylsulfonyl-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 130225296
3-[[3-(3-chlorophenyl)cyclopentyl]carbamoyl-methylamino]propanoic acid
CID 122017047
N-[3-(3-chlorophenyl)cyclopentyl]-4-hydroxypiperidine-1-carboxamide
CID 128692837

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide (CID 154878133) is N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide is Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCC(c2cccc(Cl)c2)C1.
What is the InChIKey of N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is COSGRYGHNWFZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S2/c1-13-6-9-18(26(2,22)23)12-19(13)27(24,25)21-17-8-7-15(11-17)14-4-3-5-16(20)10-14/h3-6,9-10,12,15,17,21H,7-8,11H2,1-2H3.
What are the key properties of N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 427.98 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)cyclopentyl]-2-methyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 154878133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).