2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide

C16H24N2O2S — CID 61482608

IUPAC2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C16H24N2O2S/c1-11(2)18-21(19,20)15-6-4-3-5-14(15)17-16(12-7-8-12)13-9-10-13/h3-6,11-13,16-18H,7-10H2,1-2H3
InChIKeyAXPFGCJGTIPLGU-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.97
Rot. Bonds7

About 2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide

2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 61482608) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID61482608
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C16H24N2O2S/c1-11(2)18-21(19,20)15-6-4-3-5-14(15)17-16(12-7-8-12)13-9-10-13/h3-6,11-13,16-18H,7-10H2,1-2H3
InChIKeyAXPFGCJGTIPLGU-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide (CID 61482608) is 2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1NC(C1CC1)C1CC1.
What is the InChIKey of 2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is AXPFGCJGTIPLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(2)18-21(19,20)15-6-4-3-5-14(15)17-16(12-7-8-12)13-9-10-13/h3-6,11-13,16-18H,7-10H2,1-2H3.
What are the key properties of 2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide?
2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61482608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).