N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide

C18H16ClNO2S — CID 3415984

IUPACN-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO2S/c1-13(14-9-11-16(19)12-10-14)20-23(21,22)18-8-4-6-15-5-2-3-7-17(15)18/h2-13,20H,1H3
InChIKeyAWKVNEKNVJQZCH-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.53
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide

N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide (PubChem CID 3415984) has the molecular formula C18H16ClNO2S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
PubChem CID3415984
Molecular FormulaC18H16ClNO2S
Molecular Weight345.85 g/mol
Exact Mass345.06
IUPAC NameN-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO2S/c1-13(14-9-11-16(19)12-10-14)20-23(21,22)18-8-4-6-15-5-2-3-7-17(15)18/h2-13,20H,1H3
InChIKeyAWKVNEKNVJQZCH-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
N-[1-(4-chlorophenyl)ethyl]-2-(methylamino)benzenesulfonamide
CID 62158447
3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 139827869
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670103
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 39818916
methyl 3-(4-chlorophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoate
CID 3876135
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide (CID 3415984) is N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide is CC(NS(=O)(=O)c1cccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is AWKVNEKNVJQZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S/c1-13(14-9-11-16(19)12-10-14)20-23(21,22)18-8-4-6-15-5-2-3-7-17(15)18/h2-13,20H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide?
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 345.85 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3415984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).