N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide

C17H20N2O2S — CID 135215672

IUPACN-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide
SMILESCC(C)c1ncccc1-c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H20N2O2S/c1-12(2)17-16(7-4-10-18-17)13-5-3-6-15(11-13)22(20,21)19-14-8-9-14/h3-7,10-12,14,19H,8-9H2,1-2H3
InChIKeyZJYZKNYRZOBPOJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.31
Rot. Bonds5

About N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide

N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 135215672) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide
PubChem CID135215672
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide
SMILESCC(C)c1ncccc1-c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H20N2O2S/c1-12(2)17-16(7-4-10-18-17)13-5-3-6-15(11-13)22(20,21)19-14-8-9-14/h3-7,10-12,14,19H,8-9H2,1-2H3
InChIKeyZJYZKNYRZOBPOJ-UHFFFAOYSA-N
XLogP3.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine
CID 90162283
3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide
CID 178030384
3-(6-amino-3-methyl-2-pyridinyl)-N-cyclopropylbenzenesulfonamide
CID 140766860
3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide
CID 67388564
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid
CID 56881302
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 126787693
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide
CID 126782366
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide
CID 39404850

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide (CID 135215672) is N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide is CC(C)c1ncccc1-c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is ZJYZKNYRZOBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12(2)17-16(7-4-10-18-17)13-5-3-6-15(11-13)22(20,21)19-14-8-9-14/h3-7,10-12,14,19H,8-9H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide?
N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 135215672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).