N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide

C18H16ClNO2S — CID 3793009

IUPACN-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C18H16ClNO2S/c1-13-9-10-14(11-17(13)19)12-20-23(21,22)18-8-4-6-15-5-2-3-7-16(15)18/h2-11,20H,12H2,1H3
InChIKeyNZWJKIFYCBMRST-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.28
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide

N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide (PubChem CID 3793009) has the molecular formula C18H16ClNO2S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide
PubChem CID3793009
Molecular FormulaC18H16ClNO2S
Molecular Weight345.85 g/mol
Exact Mass345.06
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C18H16ClNO2S/c1-13-9-10-14(11-17(13)19)12-20-23(21,22)18-8-4-6-15-5-2-3-7-16(15)18/h2-11,20H,12H2,1H3
InChIKeyNZWJKIFYCBMRST-UHFFFAOYSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide (CID 3793009) is N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide?
The InChIKey is NZWJKIFYCBMRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S/c1-13-9-10-14(11-17(13)19)12-20-23(21,22)18-8-4-6-15-5-2-3-7-16(15)18/h2-11,20H,12H2,1H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide?
N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide has a molecular weight of 345.85 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3793009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).