N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide

C9H17N3O3S — CID 60958525

IUPACN-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H17N3O3S/c1-2-3-4-12(5-6-13)16(14,15)9-7-10-11-8-9/h7-8,13H,2-6H2,1H3,(H,10,11)
InChIKeyGGJRZODXCMCROA-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.19
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide

N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60958525) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60958525
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H17N3O3S/c1-2-3-4-12(5-6-13)16(14,15)9-7-10-11-8-9/h7-8,13H,2-6H2,1H3,(H,10,11)
InChIKeyGGJRZODXCMCROA-UHFFFAOYSA-N
XLogP0.19
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(2-chloroethyl)-1H-pyrazole-4-sulfonamide
CID 63396636
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54877060
methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 47268116
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 61008222
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447802
N-butyl-4-(2-chloroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60958697
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
CID 54877062
N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide
CID 60916490

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide (CID 60958525) is N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide is CCCCN(CCO)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GGJRZODXCMCROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-2-3-4-12(5-6-13)16(14,15)9-7-10-11-8-9/h7-8,13H,2-6H2,1H3,(H,10,11).
What are the key properties of N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide?
N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60958525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).