4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide

C20H19ClN2O3S — CID 979808

IUPAC4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H19ClN2O3S/c21-17-6-11-20(26-14-15-4-2-1-3-5-15)16(12-17)13-23-18-7-9-19(10-8-18)27(22,24)25/h1-12,23H,13-14H2,(H2,22,24,25)
InChIKeyNLAZPVBNHPQLFJ-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.18
Rot. Bonds7

About 4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide

4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide (PubChem CID 979808) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide
PubChem CID979808
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H19ClN2O3S/c21-17-6-11-20(26-14-15-4-2-1-3-5-15)16(12-17)13-23-18-7-9-19(10-8-18)27(22,24)25/h1-12,23H,13-14H2,(H2,22,24,25)
InChIKeyNLAZPVBNHPQLFJ-UHFFFAOYSA-N
XLogP4.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide (CID 979808) is 4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1.
What is the InChIKey of 4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is NLAZPVBNHPQLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c21-17-6-11-20(26-14-15-4-2-1-3-5-15)16(12-17)13-23-18-7-9-19(10-8-18)27(22,24)25/h1-12,23H,13-14H2,(H2,22,24,25).
What are the key properties of 4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide?
4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 402.90 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 979808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).