N-(3-chlorophenyl)naphthalene-1-sulfonamide

C16H12ClNO2S — CID 962576

IUPACN-(3-chlorophenyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C16H12ClNO2S/c17-13-7-4-8-14(11-13)18-21(19,20)16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H
InChIKeyBUHORDNWZKYPLC-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.29
Rot. Bonds3

About N-(3-chlorophenyl)naphthalene-1-sulfonamide

N-(3-chlorophenyl)naphthalene-1-sulfonamide (PubChem CID 962576) has the molecular formula C16H12ClNO2S and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)naphthalene-1-sulfonamide
PubChem CID962576
Molecular FormulaC16H12ClNO2S
Molecular Weight317.80 g/mol
Exact Mass317.03
IUPAC NameN-(3-chlorophenyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C16H12ClNO2S/c17-13-7-4-8-14(11-13)18-21(19,20)16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H
InChIKeyBUHORDNWZKYPLC-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)naphthalene-1-sulfonamide (CID 962576) is N-(3-chlorophenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)naphthalene-1-sulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of N-(3-chlorophenyl)naphthalene-1-sulfonamide?
The InChIKey is BUHORDNWZKYPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2S/c17-13-7-4-8-14(11-13)18-21(19,20)16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H.
What are the key properties of N-(3-chlorophenyl)naphthalene-1-sulfonamide?
N-(3-chlorophenyl)naphthalene-1-sulfonamide has a molecular weight of 317.80 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 962576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).