N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide

C24H21ClN4O2S — CID 52576996

IUPACN-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C24H21ClN4O2S/c25-20-10-8-18(9-11-20)24-19(16-28(27-24)21-5-2-1-3-6-21)17-29(22-12-13-22)32(30,31)23-7-4-14-26-15-23/h1-11,14-16,22H,12-13,17H2
InChIKeyORTLPVONFKKCOH-UHFFFAOYSA-N
MW464.98 g/mol
LogP4.94
Rot. Bonds7

About N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide

N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide (PubChem CID 52576996) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide
PubChem CID52576996
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC NameN-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C24H21ClN4O2S/c25-20-10-8-18(9-11-20)24-19(16-28(27-24)21-5-2-1-3-6-21)17-29(22-12-13-22)32(30,31)23-7-4-14-26-15-23/h1-11,14-16,22H,12-13,17H2
InChIKeyORTLPVONFKKCOH-UHFFFAOYSA-N
XLogP4.94
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 46492219
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2502427
3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]oxolan-2-one
CID 78836067
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 112840561
CID 67048003
CID 67048003
N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 167889655
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19577912
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 52669341
(3S)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 39996038
N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
CID 102873627
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbut-2-enamide
CID 39736625
(1R,2S,4S)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98443190

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide (CID 52576996) is N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide is O=S(=O)(c1cccnc1)N(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide?
The InChIKey is ORTLPVONFKKCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c25-20-10-8-18(9-11-20)24-19(16-28(27-24)21-5-2-1-3-6-21)17-29(22-12-13-22)32(30,31)23-7-4-14-26-15-23/h1-11,14-16,22H,12-13,17H2.
What are the key properties of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide?
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide has a molecular weight of 464.98 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide is sourced from PubChem (CID 52576996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).