N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide

C14H21NO3S — CID 110440611

IUPACN-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(c2ccccc2OC)CC1
InChIInChI=1S/C14H21NO3S/c1-3-4-11-19(16,17)15-14(9-10-14)12-7-5-6-8-13(12)18-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyCQFMBRDGNGNXLS-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.40
Rot. Bonds7

About N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide

N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide (PubChem CID 110440611) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide
PubChem CID110440611
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(c2ccccc2OC)CC1
InChIInChI=1S/C14H21NO3S/c1-3-4-11-19(16,17)15-14(9-10-14)12-7-5-6-8-13(12)18-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyCQFMBRDGNGNXLS-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 110446036
2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide
CID 166408887
N-[1-(2-methoxyphenyl)cyclopropyl]cyclopropanecarboxamide
CID 110445612
2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992739
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide
CID 112994466
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
CID 113013406
N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide
CID 155370193
N-[1-(2-methoxyphenyl)cyclopropyl]cyclopentanecarboxamide
CID 110466283
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 110440585
N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
CID 65353202
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide (CID 110440611) is N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1(c2ccccc2OC)CC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide?
The InChIKey is CQFMBRDGNGNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-4-11-19(16,17)15-14(9-10-14)12-7-5-6-8-13(12)18-2/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide?
N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide is sourced from PubChem (CID 110440611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).