4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C16H15ClN4O4S2 — CID 2808729

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN4O4S2/c1-21-16(10-11-18-21)20-27(24,25)15-8-4-13(5-9-15)19-26(22,23)14-6-2-12(17)3-7-14/h2-11,19-20H,1H3
InChIKeyLHACTFSMMPUFJJ-UHFFFAOYSA-N
MW426.91 g/mol
LogP2.68
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide

4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 2808729) has the molecular formula C16H15ClN4O4S2 and a molecular weight of 426.91 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID2808729
Molecular FormulaC16H15ClN4O4S2
Molecular Weight426.91 g/mol
Exact Mass426.02
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN4O4S2/c1-21-16(10-11-18-21)20-27(24,25)15-8-4-13(5-9-15)19-26(22,23)14-6-2-12(17)3-7-14/h2-11,19-20H,1H3
InChIKeyLHACTFSMMPUFJJ-UHFFFAOYSA-N
XLogP2.68
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Sulfaphenazole
CID 5335
4-chloro-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 3601935
4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
CID 11100382
4-Azido-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10617103
N-[4-({[1-(2-chlorobenzyl)-1H-pyrazol-3-yl]amino}sulfonyl)phenyl]acetamide
CID 1017937
4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-N-propyl-benzenesulfonamide
CID 10861208
4-Amino-N-ethyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 11078396
4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 90285817
Sulfaclorazole
CID 178141
4-Amino-N-butyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 11046887
4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
CID 162650254
4-Amino-N-methyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10925491

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 2808729) is 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is LHACTFSMMPUFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4S2/c1-21-16(10-11-18-21)20-27(24,25)15-8-4-13(5-9-15)19-26(22,23)14-6-2-12(17)3-7-14/h2-11,19-20H,1H3.
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 426.91 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2808729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).