N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide

C15H17N3O2S — CID 126825107

IUPACN-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1nccc(C2CC2)n1
InChIInChI=1S/C15H17N3O2S/c1-2-11-5-3-4-6-14(11)21(19,20)18-15-16-10-9-13(17-15)12-7-8-12/h3-6,9-10,12H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyNHBCMJKHKQPNDK-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.72
Rot. Bonds5

About N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide

N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide (PubChem CID 126825107) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
PubChem CID126825107
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1nccc(C2CC2)n1
InChIInChI=1S/C15H17N3O2S/c1-2-11-5-3-4-6-14(11)21(19,20)18-15-16-10-9-13(17-15)12-7-8-12/h3-6,9-10,12H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyNHBCMJKHKQPNDK-UHFFFAOYSA-N
XLogP2.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 126825101
N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 114052249
2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide
CID 114052205
N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine
CID 83830250
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
2-tert-butyl-4-cyclopropylpyrimidine
CID 58088107
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide
CID 56870578
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide
CID 126831342
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
(1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
CID 95559150

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide?
The IUPAC name of N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide (CID 126825107) is N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide?
The canonical SMILES for N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide is CCc1ccccc1S(=O)(=O)Nc1nccc(C2CC2)n1.
What is the InChIKey of N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide?
The InChIKey is NHBCMJKHKQPNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-11-5-3-4-6-14(11)21(19,20)18-15-16-10-9-13(17-15)12-7-8-12/h3-6,9-10,12H,2,7-8H2,1H3,(H,16,17,18).
What are the key properties of N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide?
N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide has a molecular weight of 303.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide is sourced from PubChem (CID 126825107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).