N,N-di(propan-2-yl)benzenesulfonamide

C12H19NO2S — CID 804070

IUPACN,N-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-10(2)13(11(3)4)16(14,15)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyVDGXXGWYMQOMMK-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.49
Rot. Bonds4

About N,N-di(propan-2-yl)benzenesulfonamide

N,N-di(propan-2-yl)benzenesulfonamide (PubChem CID 804070) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N,N-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)benzenesulfonamide
PubChem CID804070
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN,N-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-10(2)13(11(3)4)16(14,15)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyVDGXXGWYMQOMMK-UHFFFAOYSA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of N,N-di(propan-2-yl)benzenesulfonamide (CID 804070) is N,N-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N,N-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N,N-di(propan-2-yl)benzenesulfonamide is CC(C)N(C(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N,N-di(propan-2-yl)benzenesulfonamide?
The InChIKey is VDGXXGWYMQOMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(2)13(11(3)4)16(14,15)12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)benzenesulfonamide?
N,N-di(propan-2-yl)benzenesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 804070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).