N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide

C10H13N3O2S — CID 163921898

IUPACN-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=CCNN2)cc1
InChIInChI=1S/C10H13N3O2S/c1-16(14,15)13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-6,11-13H,7H2,1H3
InChIKeyRBCLLRRQJOVLMT-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.51
Rot. Bonds3

About N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide

N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide (PubChem CID 163921898) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide
PubChem CID163921898
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=CCNN2)cc1
InChIInChI=1S/C10H13N3O2S/c1-16(14,15)13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-6,11-13H,7H2,1H3
InChIKeyRBCLLRRQJOVLMT-UHFFFAOYSA-N
XLogP0.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide (CID 163921898) is N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=CCNN2)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is RBCLLRRQJOVLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-16(14,15)13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-6,11-13H,7H2,1H3.
What are the key properties of N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide?
N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 163921898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).