3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide

C16H14ClN3O2S — CID 78889859

IUPAC3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O2S/c17-13-5-4-8-16(11-13)23(21,22)18-12-14-9-10-20(19-14)15-6-2-1-3-7-15/h1-11,18H,12H2
InChIKeySCKSKKDXZSRLMY-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.00
Rot. Bonds5

About 3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide

3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 78889859) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID78889859
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O2S/c17-13-5-4-8-16(11-13)23(21,22)18-12-14-9-10-20(19-14)15-6-2-1-3-7-15/h1-11,18H,12H2
InChIKeySCKSKKDXZSRLMY-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-nitro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 78889910
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
CID 18565850
N-[(1-benzylpyrrol-2-yl)methyl]-3-chlorobenzenesulfonamide
CID 53000302
5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 78889870
3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 56805967
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
4-chloro-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62884987
2-[1-(3-chlorophenyl)pyrazol-3-yl]acetonitrile
CID 116818243
2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818134
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine
CID 83093214

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide (CID 78889859) is 3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is SCKSKKDXZSRLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-13-5-4-8-16(11-13)23(21,22)18-12-14-9-10-20(19-14)15-6-2-1-3-7-15/h1-11,18H,12H2.
What are the key properties of 3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide?
3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 78889859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).