N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide

C12H14N4O3S — CID 35368634

IUPACN-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)cn1
InChIInChI=1S/C12H14N4O3S/c1-16-8-9(7-13-16)12(17)14-10-5-3-4-6-11(10)15-20(2,18)19/h3-8,15H,1-2H3,(H,14,17)
InChIKeyDESQBMVZQDLRPG-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.04
Rot. Bonds4

About N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide

N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 35368634) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID35368634
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)cn1
InChIInChI=1S/C12H14N4O3S/c1-16-8-9(7-13-16)12(17)14-10-5-3-4-6-11(10)15-20(2,18)19/h3-8,15H,1-2H3,(H,14,17)
InChIKeyDESQBMVZQDLRPG-UHFFFAOYSA-N
XLogP1.04
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 47011305
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
N-(2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 28742886
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 86991515
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976
N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
CID 35294770
4-fluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368090
1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
CID 141207933
3,5-difluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368320
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide (CID 35368634) is N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)cn1.
What is the InChIKey of N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is DESQBMVZQDLRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-16-8-9(7-13-16)12(17)14-10-5-3-4-6-11(10)15-20(2,18)19/h3-8,15H,1-2H3,(H,14,17).
What are the key properties of N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide?
N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 35368634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).