2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide

C17H15ClN2O4S2 — CID 166231972

IUPAC2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)ccc3ccccc23)cc1
InChIInChI=1S/C17H15ClN2O4S2/c1-25(21,22)19-13-7-9-14(10-8-13)20-26(23,24)17-15-5-3-2-4-12(15)6-11-16(17)18/h2-11,19-20H,1H3
InChIKeyXIDUTVBVLMQWGI-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.67
Rot. Bonds5

About 2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide

2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide (PubChem CID 166231972) has the molecular formula C17H15ClN2O4S2 and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide
PubChem CID166231972
Molecular FormulaC17H15ClN2O4S2
Molecular Weight410.90 g/mol
Exact Mass410.02
IUPAC Name2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)ccc3ccccc23)cc1
InChIInChI=1S/C17H15ClN2O4S2/c1-25(21,22)19-13-7-9-14(10-8-13)20-26(23,24)17-15-5-3-2-4-12(15)6-11-16(17)18/h2-11,19-20H,1H3
InChIKeyXIDUTVBVLMQWGI-UHFFFAOYSA-N
XLogP3.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of 2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide (CID 166231972) is 2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide is CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)ccc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide?
The InChIKey is XIDUTVBVLMQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S2/c1-25(21,22)19-13-7-9-14(10-8-13)20-26(23,24)17-15-5-3-2-4-12(15)6-11-16(17)18/h2-11,19-20H,1H3.
What are the key properties of 2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide?
2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide has a molecular weight of 410.90 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 166231972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).