3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide

C10H20ClNO3S — CID 79588970

IUPAC3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCC1CCCC1O
InChIInChI=1S/C10H20ClNO3S/c1-8(5-11)7-16(14,15)12-6-9-3-2-4-10(9)13/h8-10,12-13H,2-7H2,1H3
InChIKeyKBHRHGZRJZPPPR-UHFFFAOYSA-N
MW269.79 g/mol
LogP0.94
Rot. Bonds6

About 3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide

3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide (PubChem CID 79588970) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
PubChem CID79588970
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCC1CCCC1O
InChIInChI=1S/C10H20ClNO3S/c1-8(5-11)7-16(14,15)12-6-9-3-2-4-10(9)13/h8-10,12-13H,2-7H2,1H3
InChIKeyKBHRHGZRJZPPPR-UHFFFAOYSA-N
XLogP0.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843046
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103697972
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
3-chloro-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1-sulfonamide
CID 79585876
3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
CID 79588548
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide
CID 79585976
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide (CID 79588970) is 3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)NCC1CCCC1O.
What is the InChIKey of 3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide?
The InChIKey is KBHRHGZRJZPPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-8(5-11)7-16(14,15)12-6-9-3-2-4-10(9)13/h8-10,12-13H,2-7H2,1H3.
What are the key properties of 3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide?
3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide has a molecular weight of 269.79 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79588970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).