4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide

C17H20ClNO3S — CID 1349980

IUPAC4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1
InChIInChI=1S/C17H20ClNO3S/c1-17(2,22-12-14-6-4-3-5-7-14)13-19-23(20,21)16-10-8-15(18)9-11-16/h3-11,19H,12-13H2,1-2H3
InChIKeyDNOYOVVSIBKKEP-UHFFFAOYSA-N
MW353.87 g/mol
LogP3.61
Rot. Bonds7

About 4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide

4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide (PubChem CID 1349980) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide
PubChem CID1349980
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1
InChIInChI=1S/C17H20ClNO3S/c1-17(2,22-12-14-6-4-3-5-7-14)13-19-23(20,21)16-10-8-15(18)9-11-16/h3-11,19H,12-13H2,1-2H3
InChIKeyDNOYOVVSIBKKEP-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide (CID 1349980) is 4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1.
What is the InChIKey of 4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide?
The InChIKey is DNOYOVVSIBKKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-17(2,22-12-14-6-4-3-5-7-14)13-19-23(20,21)16-10-8-15(18)9-11-16/h3-11,19H,12-13H2,1-2H3.
What are the key properties of 4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide?
4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-2-phenylmethoxypropyl)benzenesulfonamide is sourced from PubChem (CID 1349980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).