N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide

C17H14ClNO2S — CID 808058

IUPACN-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C17H14ClNO2S/c18-17-8-4-3-7-15(17)12-19-22(20,21)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,19H,12H2
InChIKeyKJOALXJVWDRHOP-UHFFFAOYSA-N
MW331.82 g/mol
LogP3.97
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide

N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide (PubChem CID 808058) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide
PubChem CID808058
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC NameN-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C17H14ClNO2S/c18-17-8-4-3-7-15(17)12-19-22(20,21)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,19H,12H2
InChIKeyKJOALXJVWDRHOP-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide
CID 5681
W-7 Hydrochloride
CID 124887
N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide
CID 4299
N-(6-Aminohexyl)-5-chloronaphthalene-2-sulfonamide
CID 4306
N-(n-Heptyl)-5-chloro-1-naphthalenesulfonamide
CID 5175
N-(6-phenylhexyl)-5-chloro-1-naphthalenesulfonamide
CID 124172
N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide
CID 2735313
N-(2-((3-(4-(Aminomethyl)phenyl)propyl)amino)ethyl)-1-chloronaphthalene-2-sulfonamide
CID 10296435
N-benzylnaphthalene-2-sulfonamide
CID 873831
N-(2-chlorobenzyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573154
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide hydrochloride
CID 16760706
N-(6-aminohexyl)-1-chloro-naphthalene-5-sulfonamide
CID 6993606

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide (CID 808058) is N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide?
The InChIKey is KJOALXJVWDRHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c18-17-8-4-3-7-15(17)12-19-22(20,21)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,19H,12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide?
N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide has a molecular weight of 331.82 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 808058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).