N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide

C10H10ClN3O2S — CID 54934551

IUPACN-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1cn[nH]c1
InChIInChI=1S/C10H10ClN3O2S/c11-10-4-2-1-3-8(10)5-14-17(15,16)9-6-12-13-7-9/h1-4,6-7,14H,5H2,(H,12,13)
InChIKeyYAEDKFZYZJCQEP-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.54
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide

N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54934551) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID54934551
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC NameN-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1cn[nH]c1
InChIInChI=1S/C10H10ClN3O2S/c11-10-4-2-1-3-8(10)5-14-17(15,16)9-6-12-13-7-9/h1-4,6-7,14H,5H2,(H,12,13)
InChIKeyYAEDKFZYZJCQEP-UHFFFAOYSA-N
XLogP1.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629113
N-[[3-(chloromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 65032352
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
N-[(2,5-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 63373518
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 62050435
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106385116
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106058647
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide (CID 54934551) is N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCc1ccccc1Cl)c1cn[nH]c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is YAEDKFZYZJCQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c11-10-4-2-1-3-8(10)5-14-17(15,16)9-6-12-13-7-9/h1-4,6-7,14H,5H2,(H,12,13).
What are the key properties of N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 271.73 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54934551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).