2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide

C11H16ClN3O2S2 — CID 114122877

IUPAC2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C11H16ClN3O2S2/c1-18-10-5-3-2-4-9(10)15-19(16,17)8-6-13-11(12)14-7-8/h6-7,9-10,15H,2-5H2,1H3
InChIKeyNKDGOWOZSOZWNU-UHFFFAOYSA-N
MW321.86 g/mol
LogP2.08
Rot. Bonds4

About 2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide

2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide (PubChem CID 114122877) has the molecular formula C11H16ClN3O2S2 and a molecular weight of 321.86 g/mol. Its IUPAC name is 2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide
PubChem CID114122877
Molecular FormulaC11H16ClN3O2S2
Molecular Weight321.86 g/mol
Exact Mass321.04
IUPAC Name2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C11H16ClN3O2S2/c1-18-10-5-3-2-4-9(10)15-19(16,17)8-6-13-11(12)14-7-8/h6-7,9-10,15H,2-5H2,1H3
InChIKeyNKDGOWOZSOZWNU-UHFFFAOYSA-N
XLogP2.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 103908449
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide
CID 61051569
2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide
CID 64921363
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430
2-amino-5-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 103823754
3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 113498458
2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-sulfonamide
CID 80715203
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807
6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide
CID 60722058
6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
CID 124835688
4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide
CID 61051961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide (CID 114122877) is 2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide is CSC1CCCCC1NS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide?
The InChIKey is NKDGOWOZSOZWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S2/c1-18-10-5-3-2-4-9(10)15-19(16,17)8-6-13-11(12)14-7-8/h6-7,9-10,15H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide?
2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide has a molecular weight of 321.86 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 114122877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).