3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide

C14H20ClNO5S — CID 91773298

IUPAC3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCCO
InChIInChI=1S/C14H20ClNO5S/c1-10-11(15)3-2-4-14(10)22(18,19)16-12-5-7-20-9-13(12)21-8-6-17/h2-4,12-13,16-17H,5-9H2,1H3/t12-,13-/m1/s1
InChIKeyLSAMEUWUBRVHLE-CHWSQXEVSA-N
MW349.84 g/mol
LogP1.09
Rot. Bonds6

About 3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide

3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide (PubChem CID 91773298) has the molecular formula C14H20ClNO5S and a molecular weight of 349.84 g/mol. Its IUPAC name is 3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide
PubChem CID91773298
Molecular FormulaC14H20ClNO5S
Molecular Weight349.84 g/mol
Exact Mass349.08
IUPAC Name3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCCO
InChIInChI=1S/C14H20ClNO5S/c1-10-11(15)3-2-4-14(10)22(18,19)16-12-5-7-20-9-13(12)21-8-6-17/h2-4,12-13,16-17H,5-9H2,1H3/t12-,13-/m1/s1
InChIKeyLSAMEUWUBRVHLE-CHWSQXEVSA-N
XLogP1.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-fluoro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-5-methylbenzenesulfonamide
CID 91774576
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 91773132
2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide
CID 91779438
2-[(3S,4R)-4-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]oxan-3-yl]oxyethanol
CID 91766427
2-[(3S,4R)-4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)oxan-3-yl]oxyacetamide
CID 91773548
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 91760856
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbenzenesulfonamide
CID 106299153
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
2-[(3S,4R)-4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]oxan-3-yl]oxyacetic acid
CID 91788215
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722895
N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 156608304

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide (CID 91773298) is 3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCCO.
What is the InChIKey of 3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide?
The InChIKey is LSAMEUWUBRVHLE-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20ClNO5S/c1-10-11(15)3-2-4-14(10)22(18,19)16-12-5-7-20-9-13(12)21-8-6-17/h2-4,12-13,16-17H,5-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of 3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide has a molecular weight of 349.84 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 91773298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).