2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide

C10H12ClN5O2S — CID 62903564

IUPAC2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)c2cnc(Cl)nc2)cn1
InChIInChI=1S/C10H12ClN5O2S/c1-7(2)16-6-8(3-14-16)15-19(17,18)9-4-12-10(11)13-5-9/h3-7,15H,1-2H3
InChIKeyZRHNSOGFPRQCSL-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.71
Rot. Bonds4

About 2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide

2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide (PubChem CID 62903564) has the molecular formula C10H12ClN5O2S and a molecular weight of 301.76 g/mol. Its IUPAC name is 2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide
PubChem CID62903564
Molecular FormulaC10H12ClN5O2S
Molecular Weight301.76 g/mol
Exact Mass301.04
IUPAC Name2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)c2cnc(Cl)nc2)cn1
InChIInChI=1S/C10H12ClN5O2S/c1-7(2)16-6-8(3-14-16)15-19(17,18)9-4-12-10(11)13-5-9/h3-7,15H,1-2H3
InChIKeyZRHNSOGFPRQCSL-UHFFFAOYSA-N
XLogP1.71
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-sulfonamide
CID 62903961
3-bromo-4-chloro-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 106612227
3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 62902814
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055427
5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383213
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340
methyl 3-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]benzoate
CID 86812919
3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide
CID 103305825
2-hydrazinyl-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-sulfonamide
CID 62904457
4-amino-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 62902817
3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 62904467

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide (CID 62903564) is 2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide is CC(C)n1cc(NS(=O)(=O)c2cnc(Cl)nc2)cn1.
What is the InChIKey of 2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide?
The InChIKey is ZRHNSOGFPRQCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2S/c1-7(2)16-6-8(3-14-16)15-19(17,18)9-4-12-10(11)13-5-9/h3-7,15H,1-2H3.
What are the key properties of 2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide has a molecular weight of 301.76 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62903564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).