N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide

C16H15N3O4S2 — CID 154848350

IUPACN-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H15N3O4S2/c1-12-16(11-17-18-12)25(22,23)19-13-6-5-9-15(10-13)24(20,21)14-7-3-2-4-8-14/h2-11,19H,1H3,(H,17,18)
InChIKeyUKNQVVAUWIVNOE-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.35
Rot. Bonds5

About N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 154848350) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID154848350
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H15N3O4S2/c1-12-16(11-17-18-12)25(22,23)19-13-6-5-9-15(10-13)24(20,21)14-7-3-2-4-8-14/h2-11,19H,1H3,(H,17,18)
InChIKeyUKNQVVAUWIVNOE-UHFFFAOYSA-N
XLogP2.35
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 54930241
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61273424
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
5-methyl-N-(3-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61273624
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66257339
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 62086051
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 154848350) is N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UKNQVVAUWIVNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-12-16(11-17-18-12)25(22,23)19-13-6-5-9-15(10-13)24(20,21)14-7-3-2-4-8-14/h2-11,19H,1H3,(H,17,18).
What are the key properties of N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 377.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 154848350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).