3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide

C19H16ClNO3S — CID 45369230

IUPAC3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO3S/c20-16-7-4-8-19(13-16)25(22,23)21-17-9-11-18(12-10-17)24-14-15-5-2-1-3-6-15/h1-13,21H,14H2
InChIKeyPXRWBCZPWIDSDX-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.72
Rot. Bonds6

About 3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide

3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 45369230) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID45369230
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO3S/c20-16-7-4-8-19(13-16)25(22,23)21-17-9-11-18(12-10-17)24-14-15-5-2-1-3-6-15/h1-13,21H,14H2
InChIKeyPXRWBCZPWIDSDX-UHFFFAOYSA-N
XLogP4.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide (CID 45369230) is 3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is PXRWBCZPWIDSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c20-16-7-4-8-19(13-16)25(22,23)21-17-9-11-18(12-10-17)24-14-15-5-2-1-3-6-15/h1-13,21H,14H2.
What are the key properties of 3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 373.86 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 45369230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).