2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide

C15H18ClN3O2S — CID 164631018

IUPAC2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1
InChIInChI=1S/C15H18ClN3O2S/c1-10-3-6-14(16)15(7-10)22(20,21)18-13-8-17-19(9-13)11(2)12-4-5-12/h3,6-9,11-12,18H,4-5H2,1-2H3/t11-/m0/s1
InChIKeyVRKNDYMITANBPC-NSHDSACASA-N
MW339.85 g/mol
LogP3.62
Rot. Bonds5

About 2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide

2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide (PubChem CID 164631018) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide
PubChem CID164631018
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1
InChIInChI=1S/C15H18ClN3O2S/c1-10-3-6-14(16)15(7-10)22(20,21)18-13-8-17-19(9-13)11(2)12-4-5-12/h3,6-9,11-12,18H,4-5H2,1-2H3/t11-/m0/s1
InChIKeyVRKNDYMITANBPC-NSHDSACASA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-chloro-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 106612227
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 126779213
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 17376645
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 136533338
2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62903564
2,5-dichloro-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 129356354
2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 129356355
N-tert-butyl-2-chloro-5-methylbenzenesulfonamide
CID 117064126
2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide
CID 4866532
3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 90597875
5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62902663
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide (CID 164631018) is 2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide is Cc1ccc(Cl)c(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1.
What is the InChIKey of 2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide?
The InChIKey is VRKNDYMITANBPC-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10-3-6-14(16)15(7-10)22(20,21)18-13-8-17-19(9-13)11(2)12-4-5-12/h3,6-9,11-12,18H,4-5H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide?
2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 164631018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).