N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide

C16H26N2O2S — CID 83142432

IUPACN-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
SMILESCC(CNc1ccccc1S(=O)(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C16H26N2O2S/c1-12(16(2,3)4)11-17-14-7-5-6-8-15(14)21(19,20)18-13-9-10-13/h5-8,12-13,17-18H,9-11H2,1-4H3
InChIKeyATFYYCQXNPXNRH-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.22
Rot. Bonds6

About N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide

N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide (PubChem CID 83142432) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
PubChem CID83142432
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
SMILESCC(CNc1ccccc1S(=O)(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C16H26N2O2S/c1-12(16(2,3)4)11-17-14-7-5-6-8-15(14)21(19,20)18-13-9-10-13/h5-8,12-13,17-18H,9-11H2,1-4H3
InChIKeyATFYYCQXNPXNRH-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide (CID 83142432) is N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide is CC(CNc1ccccc1S(=O)(=O)NC1CC1)C(C)(C)C.
What is the InChIKey of N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide?
The InChIKey is ATFYYCQXNPXNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(16(2,3)4)11-17-14-7-5-6-8-15(14)21(19,20)18-13-9-10-13/h5-8,12-13,17-18H,9-11H2,1-4H3.
What are the key properties of N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide?
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide is sourced from PubChem (CID 83142432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).