5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

C16H17ClN6O4S2 — CID 25038245

IUPAC5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)nn(C)c3Cl)cc2)n1
InChIInChI=1S/C16H17ClN6O4S2/c1-10-8-9-18-16(19-10)22-28(24,25)13-6-4-12(5-7-13)21-29(26,27)14-11(2)20-23(3)15(14)17/h4-9,21H,1-3H3,(H,18,19,22)
InChIKeySJKUNDNPYCCTMM-UHFFFAOYSA-N
MW456.94 g/mol
LogP2.08
Rot. Bonds6

About 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (PubChem CID 25038245) has the molecular formula C16H17ClN6O4S2 and a molecular weight of 456.94 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
PubChem CID25038245
Molecular FormulaC16H17ClN6O4S2
Molecular Weight456.94 g/mol
Exact Mass456.04
IUPAC Name5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)nn(C)c3Cl)cc2)n1
InChIInChI=1S/C16H17ClN6O4S2/c1-10-8-9-18-16(19-10)22-28(24,25)13-6-4-12(5-7-13)21-29(26,27)14-11(2)20-23(3)15(14)17/h4-9,21H,1-3H3,(H,18,19,22)
InChIKeySJKUNDNPYCCTMM-UHFFFAOYSA-N
XLogP2.08
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.94
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-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

5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 55730964
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19683754
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
5-chloro-N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3507128
3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 42283702
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3854841
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683642
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22202693
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (CID 25038245) is 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)nn(C)c3Cl)cc2)n1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The InChIKey is SJKUNDNPYCCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O4S2/c1-10-8-9-18-16(19-10)22-28(24,25)13-6-4-12(5-7-13)21-29(26,27)14-11(2)20-23(3)15(14)17/h4-9,21H,1-3H3,(H,18,19,22).
What are the key properties of 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide has a molecular weight of 456.94 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 25038245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).