3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide

C14H19ClFNO3S — CID 65121305

IUPAC3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCCC(O)(CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H19ClFNO3S/c1-10-3-2-6-14(18,8-10)9-17-21(19,20)11-4-5-13(16)12(15)7-11/h4-5,7,10,17-18H,2-3,6,8-9H2,1H3
InChIKeySJOSNQADBWSPMA-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.70
Rot. Bonds4

About 3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 65121305) has the molecular formula C14H19ClFNO3S and a molecular weight of 335.83 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID65121305
Molecular FormulaC14H19ClFNO3S
Molecular Weight335.83 g/mol
Exact Mass335.08
IUPAC Name3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCCC(O)(CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H19ClFNO3S/c1-10-3-2-6-14(18,8-10)9-17-21(19,20)11-4-5-13(16)12(15)7-11/h4-5,7,10,17-18H,2-3,6,8-9H2,1H3
InChIKeySJOSNQADBWSPMA-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65121452
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121838
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide
CID 103300172
3-chloro-4-fluoro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
CID 97105829
3-chloro-4-fluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
CID 97105828
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
1-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65116917
1-[(4-chloro-5-fluoro-2-nitroanilino)methyl]-3-methylcyclohexan-1-ol
CID 66078193
1-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 66076891
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 65123067

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide (CID 65121305) is 3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCCC(O)(CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is SJOSNQADBWSPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO3S/c1-10-3-2-6-14(18,8-10)9-17-21(19,20)11-4-5-13(16)12(15)7-11/h4-5,7,10,17-18H,2-3,6,8-9H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 335.83 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65121305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).