5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide

C13H18N4O3S — CID 102807670

IUPAC5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1ccc(CNC2CC2)o1
InChIInChI=1S/C13H18N4O3S/c1-9-12(8-17(2)15-9)16-21(18,19)13-6-5-11(20-13)7-14-10-3-4-10/h5-6,8,10,14,16H,3-4,7H2,1-2H3
InChIKeyKIJRWAJWYJTDHC-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.37
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide (PubChem CID 102807670) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide
PubChem CID102807670
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1ccc(CNC2CC2)o1
InChIInChI=1S/C13H18N4O3S/c1-9-12(8-17(2)15-9)16-21(18,19)13-6-5-11(20-13)7-14-10-3-4-10/h5-6,8,10,14,16H,3-4,7H2,1-2H3
InChIKeyKIJRWAJWYJTDHC-UHFFFAOYSA-N
XLogP1.37
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)furan-2-sulfonamide
CID 106071264
5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclobutyl)methyl]furan-2-sulfonamide
CID 66007251
4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide
CID 107323800
N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888858
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide
CID 102806229
N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 79778825
5-[(cyclopropylamino)methyl]-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
CID 106137735
3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803496
N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
CID 102806188
N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422470
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 102807216

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide (CID 102807670) is 5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1ccc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide?
The InChIKey is KIJRWAJWYJTDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9-12(8-17(2)15-9)16-21(18,19)13-6-5-11(20-13)7-14-10-3-4-10/h5-6,8,10,14,16H,3-4,7H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(1,3-dimethylpyrazol-4-yl)furan-2-sulfonamide is sourced from PubChem (CID 102807670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).