2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide

C15H21Br2NO2S — CID 63420566

IUPAC2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H21Br2NO2S/c1-2-3-11-4-7-13(8-5-11)18-21(19,20)15-10-12(16)6-9-14(15)17/h6,9-11,13,18H,2-5,7-8H2,1H3
InChIKeyNBGGGYMRJJSTOE-UHFFFAOYSA-N
MW439.21 g/mol
LogP4.85
Rot. Bonds5

About 2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide

2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide (PubChem CID 63420566) has the molecular formula C15H21Br2NO2S and a molecular weight of 439.21 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
PubChem CID63420566
Molecular FormulaC15H21Br2NO2S
Molecular Weight439.21 g/mol
Exact Mass436.97
IUPAC Name2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H21Br2NO2S/c1-2-3-11-4-7-13(8-5-11)18-21(19,20)15-10-12(16)6-9-14(15)17/h6,9-11,13,18H,2-5,7-8H2,1H3
InChIKeyNBGGGYMRJJSTOE-UHFFFAOYSA-N
XLogP4.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.21
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 106053096
2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113239002
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 113431371
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620
5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651368
2,5-dibromo-N-ethoxybenzenesulfonamide
CID 60700593

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide (CID 63420566) is 2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide is CCCC1CCC(NS(=O)(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of 2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide?
The InChIKey is NBGGGYMRJJSTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO2S/c1-2-3-11-4-7-13(8-5-11)18-21(19,20)15-10-12(16)6-9-14(15)17/h6,9-11,13,18H,2-5,7-8H2,1H3.
What are the key properties of 2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide?
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide has a molecular weight of 439.21 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 63420566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).