2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide

C10H12ClN5O2S — CID 61052500

IUPAC2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C10H12ClN5O2S/c1-8(7-16-4-2-3-14-16)15-19(17,18)9-5-12-10(11)13-6-9/h2-6,8,15H,7H2,1H3
InChIKeyHCPHIXPSYUKERR-UHFFFAOYSA-N
MW301.76 g/mol
LogP0.69
Rot. Bonds5

About 2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide

2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 61052500) has the molecular formula C10H12ClN5O2S and a molecular weight of 301.76 g/mol. Its IUPAC name is 2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
PubChem CID61052500
Molecular FormulaC10H12ClN5O2S
Molecular Weight301.76 g/mol
Exact Mass301.04
IUPAC Name2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C10H12ClN5O2S/c1-8(7-16-4-2-3-14-16)15-19(17,18)9-5-12-10(11)13-6-9/h2-6,8,15H,7H2,1H3
InChIKeyHCPHIXPSYUKERR-UHFFFAOYSA-N
XLogP0.69
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 115602607
2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide
CID 94024873
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439
3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842
2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
CID 43456403
2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide
CID 61042027
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 94023228
5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009480
N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421967
2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
CID 61051308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide (CID 61052500) is 2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide is CC(Cn1cccn1)NS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is HCPHIXPSYUKERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2S/c1-8(7-16-4-2-3-14-16)15-19(17,18)9-5-12-10(11)13-6-9/h2-6,8,15H,7H2,1H3.
What are the key properties of 2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 301.76 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61052500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).