N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide

C14H17NO3S — CID 4162074

IUPACN-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H17NO3S/c1-2-13(10-16)15-19(17,18)14-8-7-11-5-3-4-6-12(11)9-14/h3-9,13,15-16H,2,10H2,1H3
InChIKeyMTBLFHJIPMDFST-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.89
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide

N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide (PubChem CID 4162074) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide
PubChem CID4162074
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H17NO3S/c1-2-13(10-16)15-19(17,18)14-8-7-11-5-3-4-6-12(11)9-14/h3-9,13,15-16H,2,10H2,1H3
InChIKeyMTBLFHJIPMDFST-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)naphthalene-2-sulfonamide
CID 9543486
(S)-(-)-N-(1-(Hydroxymethyl)-2-phenylethyl)-4-methylbenzenesulfonamide
CID 688331
N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
2-[(2-Naphthylsulfonyl)amino]ethyl dihydrogen phosphate
CID 11473003
4-(2,4-difluorophenyl)-3-ethyl-N-(4-hydroxybutyl)benzenesulfonamide
CID 44418716
N-[(2R)-3-[butan-2-yl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 10215851
Abd-295
CID 11515920
N-(4-Hydroxybutyl)[1,1'-biphenyl]-4-sulfonamide
CID 16094717
N-(3-isopropoxypropyl)-2-naphthalenesulfonamide
CID 2968187
4-(Methylsulfanyl)-2-(naphthalene-2-sulfonamido)butanoic acid
CID 3408560
N-(4-hydroxybutyl)-4-phenyl-3-(trifluoromethyl)benzenesulfonamide
CID 44418720
N-(4-Aminobutyl)-2-Naphthalenesulfonamide
CID 4298

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide (CID 4162074) is N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide is CCC(CO)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide?
The InChIKey is MTBLFHJIPMDFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-2-13(10-16)15-19(17,18)14-8-7-11-5-3-4-6-12(11)9-14/h3-9,13,15-16H,2,10H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide?
N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 4162074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).