N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide

C16H25NO2S — CID 42960081

IUPACN-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2CC2)C(C)C(C)C)cc1C
InChIInChI=1S/C16H25NO2S/c1-11(2)14(5)17(15-7-8-15)20(18,19)16-9-6-12(3)13(4)10-16/h6,9-11,14-15H,7-8H2,1-5H3
InChIKeyHQBYJKRBGYQUKM-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.50
Rot. Bonds5

About N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide

N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 42960081) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID42960081
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2CC2)C(C)C(C)C)cc1C
InChIInChI=1S/C16H25NO2S/c1-11(2)14(5)17(15-7-8-15)20(18,19)16-9-6-12(3)13(4)10-16/h6,9-11,14-15H,7-8H2,1-5H3
InChIKeyHQBYJKRBGYQUKM-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 42960081) is N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C2CC2)C(C)C(C)C)cc1C.
What is the InChIKey of N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is HQBYJKRBGYQUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-11(2)14(5)17(15-7-8-15)20(18,19)16-9-6-12(3)13(4)10-16/h6,9-11,14-15H,7-8H2,1-5H3.
What are the key properties of N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 295.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 42960081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).