4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide

C18H16ClNO2S — CID 91670103

IUPAC4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H16ClNO2S/c1-13(14-7-3-2-4-8-14)20-23(21,22)18-12-11-17(19)15-9-5-6-10-16(15)18/h2-13,20H,1H3
InChIKeyIEZJKQCFVLIQDU-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.53
Rot. Bonds4

About 4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide

4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide (PubChem CID 91670103) has the molecular formula C18H16ClNO2S and a molecular weight of 345.85 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
PubChem CID91670103
Molecular FormulaC18H16ClNO2S
Molecular Weight345.85 g/mol
Exact Mass345.06
IUPAC Name4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H16ClNO2S/c1-13(14-7-3-2-4-8-14)20-23(21,22)18-12-11-17(19)15-9-5-6-10-16(15)18/h2-13,20H,1H3
InChIKeyIEZJKQCFVLIQDU-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
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 34959830
4-bromo-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670104
4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide
CID 99798402
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
2-chloro-5-cyano-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 104918937
2-chloro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 2412388
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 991853
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide (CID 91670103) is 4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide is CC(NS(=O)(=O)c1ccc(Cl)c2ccccc12)c1ccccc1.
What is the InChIKey of 4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide?
The InChIKey is IEZJKQCFVLIQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S/c1-13(14-7-3-2-4-8-14)20-23(21,22)18-12-11-17(19)15-9-5-6-10-16(15)18/h2-13,20H,1H3.
What are the key properties of 4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide?
4-chloro-N-(1-phenylethyl)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 4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 91670103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).