N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide

C13H18N4O2S — CID 62157548

IUPACN-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2ccnn2C)cc1
InChIInChI=1S/C13H18N4O2S/c1-3-9-14-11-4-6-12(7-5-11)20(18,19)16-13-8-10-15-17(13)2/h4-8,10,14,16H,3,9H2,1-2H3
InChIKeyBQURPGZCTXLBSE-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.04
Rot. Bonds6

About N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide

N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide (PubChem CID 62157548) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide
PubChem CID62157548
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2ccnn2C)cc1
InChIInChI=1S/C13H18N4O2S/c1-3-9-14-11-4-6-12(7-5-11)20(18,19)16-13-8-10-15-17(13)2/h4-8,10,14,16H,3,9H2,1-2H3
InChIKeyBQURPGZCTXLBSE-UHFFFAOYSA-N
XLogP2.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25048296
3,4-difluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25046115
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62904312
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
CID 62163004
N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 62149767
N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119
N-(3-fluoro-4-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 107595393
2-[[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid
CID 4229130
N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
CID 65042766

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide (CID 62157548) is N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)Nc2ccnn2C)cc1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide?
The InChIKey is BQURPGZCTXLBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-9-14-11-4-6-12(7-5-11)20(18,19)16-13-8-10-15-17(13)2/h4-8,10,14,16H,3,9H2,1-2H3.
What are the key properties of N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide?
N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62157548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).