2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide

C13H20ClN3O2S — CID 61053689

IUPAC2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-2-10-3-5-11(6-4-10)7-17-20(18,19)12-8-15-13(14)16-9-12/h8-11,17H,2-7H2,1H3
InChIKeyDHBPSEBSRQAZKR-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.62
Rot. Bonds5

About 2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide

2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide (PubChem CID 61053689) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide
PubChem CID61053689
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-2-10-3-5-11(6-4-10)7-17-20(18,19)12-8-15-13(14)16-9-12/h8-11,17H,2-7H2,1H3
InChIKeyDHBPSEBSRQAZKR-UHFFFAOYSA-N
XLogP2.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62152225
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 115602773
2-amino-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 62150401
5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63494942
2-chloro-N-propylpyrimidine-5-sulfonamide
CID 43456271
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
2-(methylamino)-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 63244295
2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 63244262
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide (CID 61053689) is 2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide is CCC1CCC(CNS(=O)(=O)c2cnc(Cl)nc2)CC1.
What is the InChIKey of 2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide?
The InChIKey is DHBPSEBSRQAZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-2-10-3-5-11(6-4-10)7-17-20(18,19)12-8-15-13(14)16-9-12/h8-11,17H,2-7H2,1H3.
What are the key properties of 2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide?
2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethylcyclohexyl)methyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 61053689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).