4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide

C10H17ClN4O2S — CID 106315491

IUPAC4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCCC1CCCN1
InChIInChI=1S/C10H17ClN4O2S/c1-15-10(9(11)7-13-15)18(16,17)14-6-4-8-3-2-5-12-8/h7-8,12,14H,2-6H2,1H3
InChIKeyDPFUKMJTLBQCHG-UHFFFAOYSA-N
MW292.79 g/mol
LogP0.49
Rot. Bonds5

About 4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide

4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide (PubChem CID 106315491) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide
PubChem CID106315491
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC Name4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCCC1CCCN1
InChIInChI=1S/C10H17ClN4O2S/c1-15-10(9(11)7-13-15)18(16,17)14-6-4-8-3-2-5-12-8/h7-8,12,14H,2-6H2,1H3
InChIKeyDPFUKMJTLBQCHG-UHFFFAOYSA-N
XLogP0.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
CID 114794170
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
CID 120876392
5-bromo-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide
CID 106467162
4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide
CID 106315276
4-chloro-N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315562
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
2,6-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723410
4-chloro-2-methyl-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973471
2,5-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972576
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-3-sulfonamide
CID 104972646
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
CID 114150458
4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972468

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide (CID 106315491) is 4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCCC1CCCN1.
What is the InChIKey of 4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide?
The InChIKey is DPFUKMJTLBQCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2S/c1-15-10(9(11)7-13-15)18(16,17)14-6-4-8-3-2-5-12-8/h7-8,12,14H,2-6H2,1H3.
What are the key properties of 4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide?
4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide has a molecular weight of 292.79 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 106315491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).