N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide

C18H17N5O5S — CID 46657379

IUPACN-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1
InChIInChI=1S/C18H17N5O5S/c1-29(27,28)22-13-7-5-6-12(10-13)17(25)19-20-18(26)16-15(24)11-23(21-16)14-8-3-2-4-9-14/h2-11,22,24H,1H3,(H,19,25)(H,20,26)
InChIKeyKHRUIRUUKCKKHW-UHFFFAOYSA-N
MW415.43 g/mol
LogP1.02
Rot. Bonds5

About N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide

N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide (PubChem CID 46657379) has the molecular formula C18H17N5O5S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
PubChem CID46657379
Molecular FormulaC18H17N5O5S
Molecular Weight415.43 g/mol
Exact Mass415.10
IUPAC NameN-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1
InChIInChI=1S/C18H17N5O5S/c1-29(27,28)22-13-7-5-6-12(10-13)17(25)19-20-18(26)16-15(24)11-23(21-16)14-8-3-2-4-9-14/h2-11,22,24H,1H3,(H,19,25)(H,20,26)
InChIKeyKHRUIRUUKCKKHW-UHFFFAOYSA-N
XLogP1.02
TPSA142.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide
CID 46643393
4-hydroxy-1-phenyl-N'-(thiophene-3-carbonyl)pyrazole-3-carbohydrazide
CID 9452480
N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17419223
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46657614
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
CID 37242332
4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide
CID 46578325
1-(4-fluorophenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea
CID 8812962
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea
CID 8812973
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide (CID 46657379) is N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1.
What is the InChIKey of N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide?
The InChIKey is KHRUIRUUKCKKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5S/c1-29(27,28)22-13-7-5-6-12(10-13)17(25)19-20-18(26)16-15(24)11-23(21-16)14-8-3-2-4-9-14/h2-11,22,24H,1H3,(H,19,25)(H,20,26).
What are the key properties of N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide?
N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide has a molecular weight of 415.43 g/mol, XLogP of 1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 46657379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).