N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide

C13H19NO2S — CID 19681069

IUPACN-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H19NO2S/c1-10(2)9-11-3-7-13(8-4-11)17(15,16)14-12-5-6-12/h3-4,7-8,10,12,14H,5-6,9H2,1-2H3
InChIKeyBLLQBCHXMCZMQT-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.33
Rot. Bonds5

About N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide

N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 19681069) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
PubChem CID19681069
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H19NO2S/c1-10(2)9-11-3-7-13(8-4-11)17(15,16)14-12-5-6-12/h3-4,7-8,10,12,14H,5-6,9H2,1-2H3
InChIKeyBLLQBCHXMCZMQT-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropyl)-N-(1-oxothian-4-yl)benzenesulfonamide
CID 75399114
4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964495
4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
CID 63203522
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
N-[(3S)-6-bromo-3,4-dihydro-2H-chromen-3-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 95117238
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide
CID 82723408

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide (CID 19681069) is N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is BLLQBCHXMCZMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(2)9-11-3-7-13(8-4-11)17(15,16)14-12-5-6-12/h3-4,7-8,10,12,14H,5-6,9H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide?
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 19681069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).