N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide

C14H21NO3S — CID 64593325

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C14H21NO3S/c1-3-10-19(16,17)15-14(11-4-5-11)12-6-8-13(18-2)9-7-12/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyMRIZGSWHZOLJQV-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.48
Rot. Bonds7

About N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide (PubChem CID 64593325) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
PubChem CID64593325
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C14H21NO3S/c1-3-10-19(16,17)15-14(11-4-5-11)12-6-8-13(18-2)9-7-12/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyMRIZGSWHZOLJQV-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanesulfonamide
CID 107650887
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134017722
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
1-(1,2-benzoxazol-3-yl)-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]methanesulfonamide
CID 99822647
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691804
4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
CID 116952347
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
CID 115898527
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide (CID 64593325) is N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NC(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide?
The InChIKey is MRIZGSWHZOLJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-10-19(16,17)15-14(11-4-5-11)12-6-8-13(18-2)9-7-12/h6-9,11,14-15H,3-5,10H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 64593325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).