N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide

C16H20ClN3O2S — CID 127879522

IUPACN-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC(c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C16H20ClN3O2S/c1-20-15(9-10-18-20)23(21,22)19-16(12-5-2-3-6-12)13-7-4-8-14(17)11-13/h4,7-12,16,19H,2-3,5-6H2,1H3
InChIKeyNFROLTPTTKKFIU-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.28
Rot. Bonds5

About N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide

N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 127879522) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide
PubChem CID127879522
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC(c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C16H20ClN3O2S/c1-20-15(9-10-18-20)23(21,22)19-16(12-5-2-3-6-12)13-7-4-8-14(17)11-13/h4,7-12,16,19H,2-3,5-6H2,1H3
InChIKeyNFROLTPTTKKFIU-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 170579534
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
N-cyclopentyl-2-methylpyrazole-3-sulfonamide
CID 104709770
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide
CID 30037407
(1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine
CID 124889364
2-methyl-N-(1-pyrrolidin-3-ylethyl)pyrazole-3-sulfonamide
CID 104709488
N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 124610117
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide
CID 124739763
N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104710326
2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide
CID 104710773
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide (CID 127879522) is N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NC(c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is NFROLTPTTKKFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-20-15(9-10-18-20)23(21,22)19-16(12-5-2-3-6-12)13-7-4-8-14(17)11-13/h4,7-12,16,19H,2-3,5-6H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide?
N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 353.88 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 127879522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).