2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide

C16H15ClN4O2S — CID 90555758

IUPAC2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccccc2Cl)cc1-c1ccccn1
InChIInChI=1S/C16H15ClN4O2S/c1-21-15(14-7-4-5-9-18-14)10-12(20-21)11-19-24(22,23)16-8-3-2-6-13(16)17/h2-10,19H,11H2,1H3
InChIKeyFETOYUCZERQKRU-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.61
Rot. Bonds5

About 2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide

2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 90555758) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID90555758
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccccc2Cl)cc1-c1ccccn1
InChIInChI=1S/C16H15ClN4O2S/c1-21-15(14-7-4-5-9-18-14)10-12(20-21)11-19-24(22,23)16-8-3-2-6-13(16)17/h2-10,19H,11H2,1H3
InChIKeyFETOYUCZERQKRU-UHFFFAOYSA-N
XLogP2.61
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555807
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 90555730
5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555780
5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 90555814
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90555805
1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555827
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 90555158
2-(2,4-dichlorophenoxy)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797643
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide
CID 90556123
4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 90555587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide (CID 90555758) is 2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1nc(CNS(=O)(=O)c2ccccc2Cl)cc1-c1ccccn1.
What is the InChIKey of 2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is FETOYUCZERQKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-21-15(14-7-4-5-9-18-14)10-12(20-21)11-19-24(22,23)16-8-3-2-6-13(16)17/h2-10,19H,11H2,1H3.
What are the key properties of 2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 90555758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).