2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide

C12H18ClN3O3S — CID 62552865

IUPAC2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C12H18ClN3O3S/c1-9-2-4-12(8-17,5-3-9)16-20(18,19)10-6-14-11(13)15-7-10/h6-7,9,16-17H,2-5,8H2,1H3
InChIKeyDIGGWGYDYZTWPX-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.35
Rot. Bonds4

About 2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide

2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide (PubChem CID 62552865) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide
PubChem CID62552865
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C12H18ClN3O3S/c1-9-2-4-12(8-17,5-3-9)16-20(18,19)10-6-14-11(13)15-7-10/h6-7,9,16-17H,2-5,8H2,1H3
InChIKeyDIGGWGYDYZTWPX-UHFFFAOYSA-N
XLogP1.35
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63618172
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62525829
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 62526726
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 62525308
4-bromo-2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62526692
[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 79633029
N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide
CID 62526005
3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 65032421
2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylbenzenesulfonamide
CID 62525307
[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 114562559
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62526556
1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
CID 64987572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide (CID 62552865) is 2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide is CC1CCC(CO)(NS(=O)(=O)c2cnc(Cl)nc2)CC1.
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide?
The InChIKey is DIGGWGYDYZTWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-9-2-4-12(8-17,5-3-9)16-20(18,19)10-6-14-11(13)15-7-10/h6-7,9,16-17H,2-5,8H2,1H3.
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide?
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 62552865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).