N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide

C14H22FNO3S — CID 102919803

IUPACN-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCC(N(C)S(=O)(=O)c1cc(F)ccc1CO)C(C)(C)C
InChIInChI=1S/C14H22FNO3S/c1-10(14(2,3)4)16(5)20(18,19)13-8-12(15)7-6-11(13)9-17/h6-8,10,17H,9H2,1-5H3
InChIKeyNISSGMQOHBBEBT-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.37
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide

N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide (PubChem CID 102919803) has the molecular formula C14H22FNO3S and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
PubChem CID102919803
Molecular FormulaC14H22FNO3S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCC(N(C)S(=O)(=O)c1cc(F)ccc1CO)C(C)(C)C
InChIInChI=1S/C14H22FNO3S/c1-10(14(2,3)4)16(5)20(18,19)13-8-12(15)7-6-11(13)9-17/h6-8,10,17H,9H2,1-5H3
InChIKeyNISSGMQOHBBEBT-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-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

2-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzenesulfonamide
CID 102920066
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 102919721
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79186955
5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide
CID 102919677
2-(chloromethyl)-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102920040
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 102919704
N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide
CID 102919768
5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102919744
5-fluoro-2-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102919985
N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 102919797
N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919837
5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide
CID 59389599

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide (CID 102919803) is N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide is CC(N(C)S(=O)(=O)c1cc(F)ccc1CO)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The InChIKey is NISSGMQOHBBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3S/c1-10(14(2,3)4)16(5)20(18,19)13-8-12(15)7-6-11(13)9-17/h6-8,10,17H,9H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide has a molecular weight of 303.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 102919803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).