N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

C18H21NO3S — CID 9189457

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-3-11-18(12-4-14)23(20,21)19(16-7-8-16)13-15-5-9-17(22-2)10-6-15/h3-6,9-12,16H,7-8,13H2,1-2H3
InChIKeyBPGFWLFANBYDSE-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.36
Rot. Bonds6

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 9189457) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID9189457
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO3S/c1-14-3-11-18(12-4-14)23(20,21)19(16-7-8-16)13-15-5-9-17(22-2)10-6-15/h3-6,9-12,16H,7-8,13H2,1-2H3
InChIKeyBPGFWLFANBYDSE-UHFFFAOYSA-N
XLogP3.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 10205113
3,5-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 27664683
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methyl-4-nitrobenzenesulfonamide
CID 37499780
methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 35403081
N-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46300359
1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 86870369
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 24806524
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
CID 55566129
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethoxy]benzenesulfonamide
CID 34712914

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 9189457) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is BPGFWLFANBYDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-3-11-18(12-4-14)23(20,21)19(16-7-8-16)13-15-5-9-17(22-2)10-6-15/h3-6,9-12,16H,7-8,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 9189457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).