4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide

C12H17BrN2O2S — CID 114134360

IUPAC4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)cc1Br)C1CC1
InChIInChI=1S/C12H17BrN2O2S/c1-8(10-3-4-10)15-18(16,17)12-5-2-9(7-14)6-11(12)13/h2,5-6,8,10,15H,3-4,7,14H2,1H3
InChIKeyPGGSQFURLTYYHP-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.98
Rot. Bonds5

About 4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide

4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide (PubChem CID 114134360) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
PubChem CID114134360
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)cc1Br)C1CC1
InChIInChI=1S/C12H17BrN2O2S/c1-8(10-3-4-10)15-18(16,17)12-5-2-9(7-14)6-11(12)13/h2,5-6,8,10,15H,3-4,7,14H2,1H3
InChIKeyPGGSQFURLTYYHP-UHFFFAOYSA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
4-(aminomethyl)-N-(1-cyclohexylethyl)-2-methylbenzenesulfonamide
CID 106996908
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036
4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide
CID 106035478
4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106050184
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
CID 113338285
5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106066144
N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
CID 84843581
4-(aminomethyl)-2-bromo-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 106090828
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
4-(aminomethyl)-2-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055573

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide (CID 114134360) is 4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(CN)cc1Br)C1CC1.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide?
The InChIKey is PGGSQFURLTYYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-8(10-3-4-10)15-18(16,17)12-5-2-9(7-14)6-11(12)13/h2,5-6,8,10,15H,3-4,7,14H2,1H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide?
4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide has a molecular weight of 333.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide is sourced from PubChem (CID 114134360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).