4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide

C14H18BrNO2S — CID 42956369

IUPAC4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(C1CC1)N(C1CC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2S/c1-10(11-2-3-11)16(13-6-7-13)19(17,18)14-8-4-12(15)5-9-14/h4-5,8-11,13H,2-3,6-7H2,1H3
InChIKeyYNEYEBJSDILLLH-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.40
Rot. Bonds5

About 4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide

4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide (PubChem CID 42956369) has the molecular formula C14H18BrNO2S and a molecular weight of 344.27 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide
PubChem CID42956369
Molecular FormulaC14H18BrNO2S
Molecular Weight344.27 g/mol
Exact Mass343.02
IUPAC Name4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(C1CC1)N(C1CC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2S/c1-10(11-2-3-11)16(13-6-7-13)19(17,18)14-8-4-12(15)5-9-14/h4-5,8-11,13H,2-3,6-7H2,1H3
InChIKeyYNEYEBJSDILLLH-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide (CID 42956369) is 4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide is CC(C1CC1)N(C1CC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide?
The InChIKey is YNEYEBJSDILLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2S/c1-10(11-2-3-11)16(13-6-7-13)19(17,18)14-8-4-12(15)5-9-14/h4-5,8-11,13H,2-3,6-7H2,1H3.
What are the key properties of 4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide?
4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide has a molecular weight of 344.27 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-N-(1-cyclopropylethyl)benzenesulfonamide is sourced from PubChem (CID 42956369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).