N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide

C15H17NO3S — CID 84589990

IUPACN-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)c1cccc2ccccc12
InChIInChI=1S/C15H17NO3S/c17-14(12-8-9-12)10-16-20(18,19)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,12,14,16-17H,8-10H2
InChIKeyXSVGHJBQDJAJFQ-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.89
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide

N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide (PubChem CID 84589990) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide
PubChem CID84589990
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)c1cccc2ccccc12
InChIInChI=1S/C15H17NO3S/c17-14(12-8-9-12)10-16-20(18,19)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,12,14,16-17H,8-10H2
InChIKeyXSVGHJBQDJAJFQ-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide
CID 95367551
N-(2-cyclopropyl-2-hydroxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 63298637
N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 10287270
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
CID 115755317
N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide
CID 10286805
2-methyl-3-(naphthalen-1-ylsulfonylamino)propanethioamide
CID 114795498
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
N-[(naphthalen-1-ylsulfonylamino)methyl]formamide
CID 23498789
2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63296964
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide (CID 84589990) is N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide is O=S(=O)(NCC(O)C1CC1)c1cccc2ccccc12.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide?
The InChIKey is XSVGHJBQDJAJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-14(12-8-9-12)10-16-20(18,19)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,12,14,16-17H,8-10H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide?
N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide has a molecular weight of 291.37 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-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 84589990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).