N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide

C13H17N3O2S — CID 61383755

IUPACN-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H17N3O2S/c1-2-8-19(17,18)15-10-12-9-14-16(11-12)13-6-4-3-5-7-13/h3-7,9,11,15H,2,8,10H2,1H3
InChIKeyVSCPQGOERUXRNE-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.70
Rot. Bonds6

About N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide

N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide (PubChem CID 61383755) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
PubChem CID61383755
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H17N3O2S/c1-2-8-19(17,18)15-10-12-9-14-16(11-12)13-6-4-3-5-7-13/h3-7,9,11,15H,2,8,10H2,1H3
InChIKeyVSCPQGOERUXRNE-UHFFFAOYSA-N
XLogP1.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 75493390
N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide
CID 16616688
N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 134017774
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 31111062
1-phenyl-4-propylpyrazole
CID 12902534
(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide
CID 31841750
1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
CID 95307548
2,3,4-trifluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 31841722
2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 62835939
2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 43631537
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide (CID 61383755) is N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide?
The InChIKey is VSCPQGOERUXRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-8-19(17,18)15-10-12-9-14-16(11-12)13-6-4-3-5-7-13/h3-7,9,11,15H,2,8,10H2,1H3.
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide?
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 61383755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).