3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide

C10H20ClNO3S — CID 65110375

IUPAC3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCC1(O)CCCCC1
InChIInChI=1S/C10H20ClNO3S/c11-7-4-8-16(14,15)12-9-10(13)5-2-1-3-6-10/h12-13H,1-9H2
InChIKeyZEJHGFMVZGJJLX-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.23
Rot. Bonds6

About 3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide

3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide (PubChem CID 65110375) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
PubChem CID65110375
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCC1(O)CCCCC1
InChIInChI=1S/C10H20ClNO3S/c11-7-4-8-16(14,15)12-9-10(13)5-2-1-3-6-10/h12-13H,1-9H2
InChIKeyZEJHGFMVZGJJLX-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide (CID 65110375) is 3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NCC1(O)CCCCC1.
What is the InChIKey of 3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The InChIKey is ZEJHGFMVZGJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c11-7-4-8-16(14,15)12-9-10(13)5-2-1-3-6-10/h12-13H,1-9H2.
What are the key properties of 3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-hydroxycyclohexyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 65110375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).