4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide

C17H15ClN2O2S — CID 166183899

IUPAC4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide
SMILESCc1ccnc(CNS(=O)(=O)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C17H15ClN2O2S/c1-12-8-9-19-13(10-12)11-20-23(21,22)17-7-6-16(18)14-4-2-3-5-15(14)17/h2-10,20H,11H2,1H3
InChIKeyICUGNRBLQVJURC-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.68
Rot. Bonds4

About 4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide

4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide (PubChem CID 166183899) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide
PubChem CID166183899
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide
SMILESCc1ccnc(CNS(=O)(=O)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C17H15ClN2O2S/c1-12-8-9-19-13(10-12)11-20-23(21,22)17-7-6-16(18)14-4-2-3-5-15(14)17/h2-10,20H,11H2,1H3
InChIKeyICUGNRBLQVJURC-UHFFFAOYSA-N
XLogP3.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 1258403
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(4-methyl-2-pyridinyl)methanamine
CID 167982227
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid
CID 139003554
2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042045
4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 16644990
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61112651
2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid
CID 154742969
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 139003545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide (CID 166183899) is 4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide is Cc1ccnc(CNS(=O)(=O)c2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of 4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide?
The InChIKey is ICUGNRBLQVJURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-12-8-9-19-13(10-12)11-20-23(21,22)17-7-6-16(18)14-4-2-3-5-15(14)17/h2-10,20H,11H2,1H3.
What are the key properties of 4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide?
4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide has a molecular weight of 346.84 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methyl-2-pyridinyl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 166183899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).