N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide

C19H24ClNO3S — CID 90600039

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1ccc(C(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClNO3S/c1-14(2)15-8-10-18(11-9-15)25(22,23)21-13-19(3,24-4)16-6-5-7-17(20)12-16/h5-12,14,21H,13H2,1-4H3
InChIKeyYONAOKKUBGXUMP-UHFFFAOYSA-N
MW381.93 g/mol
LogP4.30
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 90600039) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID90600039
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1ccc(C(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClNO3S/c1-14(2)15-8-10-18(11-9-15)25(22,23)21-13-19(3,24-4)16-6-5-7-17(20)12-16/h5-12,14,21H,13H2,1-4H3
InChIKeyYONAOKKUBGXUMP-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide
CID 90600032
N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90600092
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328
1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide
CID 90600008
N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide
CID 90599639
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90501130
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid
CID 75496479
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide (CID 90600039) is N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide is COC(C)(CNS(=O)(=O)c1ccc(C(C)C)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is YONAOKKUBGXUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3S/c1-14(2)15-8-10-18(11-9-15)25(22,23)21-13-19(3,24-4)16-6-5-7-17(20)12-16/h5-12,14,21H,13H2,1-4H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 381.93 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 90600039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).