N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide

C16H18N2O2S — CID 110723172

IUPACN-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide
SMILESCC1=CC=CC=C1CS(=O)(=O)N(C2CC2)C3=CC=CC=N3
InChIInChI=1S/C16H18N2O2S/c1-13-6-2-3-7-14(13)12-21(19,20)18(15-9-10-15)16-8-4-5-11-17-16/h2-8,11,15H,9-10,12H2,1H3
InChIKeyLQGFDSNOUIXINZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.70
Rot. Bonds5

About N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide

N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide (PubChem CID 110723172) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide
PubChem CID110723172
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide
SMILESCC1=CC=CC=C1CS(=O)(=O)N(C2CC2)C3=CC=CC=N3
InChIInChI=1S/C16H18N2O2S/c1-13-6-2-3-7-14(13)12-21(19,20)18(15-9-10-15)16-8-4-5-11-17-16/h2-8,11,15H,9-10,12H2,1H3
InChIKeyLQGFDSNOUIXINZ-UHFFFAOYSA-N
XLogP2.70
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity442

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 735815
Arylsulfonylpiperazine, 6
CID 44237014
Arylsulfonylpiperazine, 24
CID 44237027
N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 4786643
Benzyl(phenylsulfonyl)-2-pyridylamine
CID 668956
4-methyl-N-phenyl-N-2-pyridinylbenzenesulfonamide
CID 882825
1-[(2,6-Difluorophenyl)methylsulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 24744154
N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
CID 118526913
N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide
CID 118527010
11-Isopropyl-6,8,9-trimethyl-pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 462256
N-(4-methylpyridin-2-yl)-1-phenylmethanesulfonamide
CID 743631
6-(benzylamino)-N,N-diethyl-3-pyridinesulfonamide
CID 829837

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide?
The IUPAC name of N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide (CID 110723172) is N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide is CC1=CC=CC=C1CS(=O)(=O)N(C2CC2)C3=CC=CC=N3.
What is the InChIKey of N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide?
The InChIKey is LQGFDSNOUIXINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-13-6-2-3-7-14(13)12-21(19,20)18(15-9-10-15)16-8-4-5-11-17-16/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide?
N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide is sourced from PubChem (CID 110723172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).