N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide

C19H17NO3S — CID 58811298

IUPACN-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)CNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17NO3S/c1-14-6-10-18(11-7-14)24(22,23)13-20-19(21)17-9-8-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3,(H,20,21)
InChIKeyJDXMVLRWPCQKOD-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.31
Rot. Bonds4

About N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide

N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide (PubChem CID 58811298) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide
PubChem CID58811298
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)CNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17NO3S/c1-14-6-10-18(11-7-14)24(22,23)13-20-19(21)17-9-8-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3,(H,20,21)
InChIKeyJDXMVLRWPCQKOD-UHFFFAOYSA-N
XLogP3.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propylnaphthalene-2-carboxamide
CID 6624536
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide
CID 157028404
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
ethane;naphthalene-2-carbohydrazide
CID 91601372
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 5128744
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43978018
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-[(E)-but-2-enyl]naphthalene-2-carboxamide
CID 59644417

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide (CID 58811298) is N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide is Cc1ccc(S(=O)(=O)CNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide?
The InChIKey is JDXMVLRWPCQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-14-6-10-18(11-7-14)24(22,23)13-20-19(21)17-9-8-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide?
N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)sulfonylmethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 58811298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).