N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide

C20H22ClN3O2S — CID 22201773

IUPACN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O2S/c1-14(2)17-6-10-19(11-7-17)27(25,26)23-20-12-15(3)24(22-20)13-16-4-8-18(21)9-5-16/h4-12,14H,13H2,1-3H3,(H,22,23)
InChIKeyZUBFGMHNXIENLE-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.82
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 22201773) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID22201773
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O2S/c1-14(2)17-6-10-19(11-7-17)27(25,26)23-20-12-15(3)24(22-20)13-16-4-8-18(21)9-5-16/h4-12,14H,13H2,1-3H3,(H,22,23)
InChIKeyZUBFGMHNXIENLE-UHFFFAOYSA-N
XLogP4.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trichloro-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 22201809
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22201790
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22201802
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22203047
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide
CID 22201794
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxopropanamide
CID 19284125
N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 67972113
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
1-butan-2-yl-3-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]thiourea
CID 19393273
N-(6-chloropyrimidin-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 86003781
N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 3376238

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide (CID 22201773) is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is ZUBFGMHNXIENLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-14(2)17-6-10-19(11-7-17)27(25,26)23-20-12-15(3)24(22-20)13-16-4-8-18(21)9-5-16/h4-12,14H,13H2,1-3H3,(H,22,23).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide?
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 403.94 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 22201773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).