N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C18H17N5O4S — CID 1094882

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17N5O4S/c1-11-16(17(24)23(22(11)2)12-6-4-3-5-7-12)21-28(26,27)13-8-9-14-15(10-13)20-18(25)19-14/h3-10,21H,1-2H3,(H2,19,20,25)
InChIKeyYYDLGCSTVWTBPV-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.45
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 1094882) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID1094882
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17N5O4S/c1-11-16(17(24)23(22(11)2)12-6-4-3-5-7-12)21-28(26,27)13-8-9-14-15(10-13)20-18(25)19-14/h3-10,21H,1-2H3,(H2,19,20,25)
InChIKeyYYDLGCSTVWTBPV-UHFFFAOYSA-N
XLogP1.45
TPSA121.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 1094882) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is YYDLGCSTVWTBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-11-16(17(24)23(22(11)2)12-6-4-3-5-7-12)21-28(26,27)13-8-9-14-15(10-13)20-18(25)19-14/h3-10,21H,1-2H3,(H2,19,20,25).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 399.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 1094882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).