5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide

C14H23BrN2O2S — CID 114364129

IUPAC5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cc(CN)cc(C)c1Br
InChIInChI=1S/C14H23BrN2O2S/c1-5-17(9-10(2)3)20(18,19)13-7-12(8-16)6-11(4)14(13)15/h6-7,10H,5,8-9,16H2,1-4H3
InChIKeyUVDDFQJCKLXZEA-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.88
Rot. Bonds6

About 5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide

5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 114364129) has the molecular formula C14H23BrN2O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID114364129
Molecular FormulaC14H23BrN2O2S
Molecular Weight363.32 g/mol
Exact Mass362.07
IUPAC Name5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cc(CN)cc(C)c1Br
InChIInChI=1S/C14H23BrN2O2S/c1-5-17(9-10(2)3)20(18,19)13-7-12(8-16)6-11(4)14(13)15/h6-7,10H,5,8-9,16H2,1-4H3
InChIKeyUVDDFQJCKLXZEA-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 114364538
5-(aminomethyl)-2-bromo-3-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 114363734
2-bromo-N,N-diethyl-3-methyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 114363768
5-(aminomethyl)-2-bromo-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106063379
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide
CID 114363791
5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 79973709
2-bromo-N-ethyl-5-(hydroxymethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 114363266
2-bromo-N-ethyl-5-(hydroxymethyl)-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 114363261
5-(aminomethyl)-2-bromo-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055720
2-bromo-5-(chloromethyl)-3-methyl-N,N-dipropylbenzenesulfonamide
CID 114363367
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 114364238
2-bromo-5-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methylbenzenesulfonamide
CID 114363633

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 114364129) is 5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide is CCN(CC(C)C)S(=O)(=O)c1cc(CN)cc(C)c1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is UVDDFQJCKLXZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S/c1-5-17(9-10(2)3)20(18,19)13-7-12(8-16)6-11(4)14(13)15/h6-7,10H,5,8-9,16H2,1-4H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide?
5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 363.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 114364129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).