5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide

C14H21BrN2O2S — CID 81487837

IUPAC5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)NC1(C)CCCC1
InChIInChI=1S/C14H21BrN2O2S/c1-10-12(15)7-11(9-16)8-13(10)20(18,19)17-14(2)5-3-4-6-14/h7-8,17H,3-6,9,16H2,1-2H3
InChIKeyKVJVUYWDMNQLNJ-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.83
Rot. Bonds4

About 5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide

5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide (PubChem CID 81487837) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
PubChem CID81487837
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)NC1(C)CCCC1
InChIInChI=1S/C14H21BrN2O2S/c1-10-12(15)7-11(9-16)8-13(10)20(18,19)17-14(2)5-3-4-6-14/h7-8,17H,3-6,9,16H2,1-2H3
InChIKeyKVJVUYWDMNQLNJ-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(hydroxymethyl)-2-methyl-N-(1-methylcyclohexyl)benzenesulfonamide
CID 81480601
5-(aminomethyl)-3-bromo-2-methyl-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073787
2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
CID 114363214
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 106997142
5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486161
5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide
CID 81488210
4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
5-(aminomethyl)-3-bromo-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059205
5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
CID 81481552
3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 114380220
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061602
5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081247

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide (CID 81487837) is 5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide is Cc1c(Br)cc(CN)cc1S(=O)(=O)NC1(C)CCCC1.
What is the InChIKey of 5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide?
The InChIKey is KVJVUYWDMNQLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-10-12(15)7-11(9-16)8-13(10)20(18,19)17-14(2)5-3-4-6-14/h7-8,17H,3-6,9,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide?
5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 81487837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).