3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide

C14H20ClNO4S — CID 97066205

IUPAC3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC[C@]1(CCO)CCOC1
InChIInChI=1S/C14H20ClNO4S/c1-11-12(15)3-2-4-13(11)21(18,19)16-9-14(5-7-17)6-8-20-10-14/h2-4,16-17H,5-10H2,1H3/t14-/m0/s1
InChIKeyQRFJKHQHIQPYCT-AWEZNQCLSA-N
MW333.84 g/mol
LogP1.72
Rot. Bonds6

About 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide

3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide (PubChem CID 97066205) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide
PubChem CID97066205
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC[C@]1(CCO)CCOC1
InChIInChI=1S/C14H20ClNO4S/c1-11-12(15)3-2-4-13(11)21(18,19)16-9-14(5-7-17)6-8-20-10-14/h2-4,16-17H,5-10H2,1H3/t14-/m0/s1
InChIKeyQRFJKHQHIQPYCT-AWEZNQCLSA-N
XLogP1.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbenzenesulfonamide
CID 106299153
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
CID 65122114
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
N-[(1-aminocyclobutyl)methyl]-3-chloro-2-methylbenzenesulfonamide
CID 113411813
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454078
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 103918364
2-[3-[(3-chloro-2-methylphenyl)sulfonylamino]oxan-3-yl]acetic acid
CID 138000553
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 115755568
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 104758612
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide (CID 97066205) is 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NC[C@]1(CCO)CCOC1.
What is the InChIKey of 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is QRFJKHQHIQPYCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-11-12(15)3-2-4-13(11)21(18,19)16-9-14(5-7-17)6-8-20-10-14/h2-4,16-17H,5-10H2,1H3/t14-/m0/s1.
What are the key properties of 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide?
3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 333.84 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 97066205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).