N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide

C14H17NO3S — CID 115902788

IUPACN-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H17NO3S/c1-11(16)10-15(2)19(17,18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,16H,10H2,1-2H3
InChIKeyYVPILVLIJHEDJZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.84
Rot. Bonds4

About N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide

N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide (PubChem CID 115902788) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
PubChem CID115902788
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H17NO3S/c1-11(16)10-15(2)19(17,18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,16H,10H2,1-2H3
InChIKeyYVPILVLIJHEDJZ-UHFFFAOYSA-N
XLogP1.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide 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

N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55060829
N,N-dimethyl-2-[methyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 115684021
4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 115776536
N-propan-2-ylnaphthalene-1-sulfonohydrazide
CID 141255188
N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795824
N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 174226998
2-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 114533581
N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504
N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide
CID 4994619
tert-butyl 2-[methyl(naphthalen-1-ylsulfonyl)amino]acetate
CID 3787664
N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide
CID 134821387

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide (CID 115902788) is N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide is CC(O)CN(C)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide?
The InChIKey is YVPILVLIJHEDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11(16)10-15(2)19(17,18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,16H,10H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide?
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 115902788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).