N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide

C10H10ClN3O2S — CID 102691623

IUPACN-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C10H10ClN3O2S/c1-7-2-3-9(8(11)6-7)14-17(15,16)10-4-5-12-13-10/h2-6,14H,1H3,(H,12,13)
InChIKeyHIYVIJMFJNISTA-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.17
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide

N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691623) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691623
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC NameN-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C10H10ClN3O2S/c1-7-2-3-9(8(11)6-7)14-17(15,16)10-4-5-12-13-10/h2-6,14H,1H3,(H,12,13)
InChIKeyHIYVIJMFJNISTA-UHFFFAOYSA-N
XLogP2.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102692511
N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692966
N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide
CID 102692686
N-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102691501
4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692631
methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691733
3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692470
N-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102693474
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304236
N-(2-chloro-4-methylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913993
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide
CID 102693806

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide (CID 102691623) is N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccn[nH]2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is HIYVIJMFJNISTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-7-2-3-9(8(11)6-7)14-17(15,16)10-4-5-12-13-10/h2-6,14H,1H3,(H,12,13).
What are the key properties of N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide?
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 271.73 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).