4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

C17H15BrN4O3S — CID 60590416

IUPAC4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1
InChIInChI=1S/C17H15BrN4O3S/c1-26(24,25)22-13-9-7-12(8-10-13)19-17(23)16-14(18)15(20-21-16)11-5-3-2-4-6-11/h2-10,22H,1H3,(H,19,23)(H,20,21)
InChIKeySBLPYOMIMPGOAY-UHFFFAOYSA-N
MW435.30 g/mol
LogP3.46
Rot. Bonds5

About 4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 60590416) has the molecular formula C17H15BrN4O3S and a molecular weight of 435.30 g/mol. Its IUPAC name is 4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID60590416
Molecular FormulaC17H15BrN4O3S
Molecular Weight435.30 g/mol
Exact Mass434.00
IUPAC Name4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1
InChIInChI=1S/C17H15BrN4O3S/c1-26(24,25)22-13-9-7-12(8-10-13)19-17(23)16-14(18)15(20-21-16)11-5-3-2-4-6-11/h2-10,22H,1H3,(H,19,23)(H,20,21)
InChIKeySBLPYOMIMPGOAY-UHFFFAOYSA-N
XLogP3.46
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide
CID 166196936
N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide
CID 46849030
4-bromo-N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110907793
4-bromo-N-[(2R)-2-(ethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 120650090
methyl 5-[(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoate
CID 60591032
2-[[(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 120528510
4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 19511285
N-[4-(methanesulfonamido)phenyl]-6-methylpyridine-2-carboxamide
CID 32696107
4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 120557037
3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 166231057
N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide
CID 70113745
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 60590416) is 4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is SBLPYOMIMPGOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3S/c1-26(24,25)22-13-9-7-12(8-10-13)19-17(23)16-14(18)15(20-21-16)11-5-3-2-4-6-11/h2-10,22H,1H3,(H,19,23)(H,20,21).
What are the key properties of 4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 435.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 60590416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).