3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C12H13BrN2O2S2 — CID 114378807

IUPAC3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C12H13BrN2O2S2/c1-8-11(14)5-9(13)6-12(8)19(16,17)15-7-10-3-2-4-18-10/h2-6,15H,7,14H2,1H3
InChIKeyRJLHWHDMNXVONK-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.88
Rot. Bonds4

About 3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 114378807) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID114378807
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C12H13BrN2O2S2/c1-8-11(14)5-9(13)6-12(8)19(16,17)15-7-10-3-2-4-18-10/h2-6,15H,7,14H2,1H3
InChIKeyRJLHWHDMNXVONK-UHFFFAOYSA-N
XLogP2.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 114379930
2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
3-amino-5-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114379338
4-bromo-3-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 104654364
3-amino-5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylbenzenesulfonamide
CID 106333213
3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide
CID 114380174
5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
3-amino-5-bromo-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 114379208
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114378635
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 114378807) is 3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1c(N)cc(Br)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is RJLHWHDMNXVONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-8-11(14)5-9(13)6-12(8)19(16,17)15-7-10-3-2-4-18-10/h2-6,15H,7,14H2,1H3.
What are the key properties of 3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 361.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 114378807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).