N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide

C12H18FNO3S — CID 115755454

IUPACN-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1cc(C)ccc1F
InChIInChI=1S/C12H18FNO3S/c1-3-14(7-4-8-15)18(16,17)12-9-10(2)5-6-11(12)13/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyWHEWVBOMNVBKSZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.53
Rot. Bonds6

About N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide

N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide (PubChem CID 115755454) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide
PubChem CID115755454
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC NameN-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1cc(C)ccc1F
InChIInChI=1S/C12H18FNO3S/c1-3-14(7-4-8-15)18(16,17)12-9-10(2)5-6-11(12)13/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyWHEWVBOMNVBKSZ-UHFFFAOYSA-N
XLogP1.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 115754678
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 43577516
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide
CID 54878677
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 114231124
5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
CID 110760985
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755
3-[ethyl-(2-fluoro-5-methylphenyl)sulfonylamino]butanoic acid
CID 62826714
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-[(2-fluoro-5-methylphenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79274784

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide (CID 115755454) is N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide is CCN(CCCO)S(=O)(=O)c1cc(C)ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide?
The InChIKey is WHEWVBOMNVBKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-3-14(7-4-8-15)18(16,17)12-9-10(2)5-6-11(12)13/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide?
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide has a molecular weight of 275.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 115755454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).