2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H17BrN2O2S2 — CID 61450114

IUPAC2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC(C)N(Cc1cccs1)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H17BrN2O2S2/c1-10(2)17(9-12-4-3-7-20-12)21(18,19)14-6-5-11(15)8-13(14)16/h3-8,10H,9,16H2,1-2H3
InChIKeyRPSMKTXMOZEUFD-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.69
Rot. Bonds5

About 2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide

2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 61450114) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID61450114
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC Name2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC(C)N(Cc1cccs1)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H17BrN2O2S2/c1-10(2)17(9-12-4-3-7-20-12)21(18,19)14-6-5-11(15)8-13(14)16/h3-8,10H,9,16H2,1-2H3
InChIKeyRPSMKTXMOZEUFD-UHFFFAOYSA-N
XLogP3.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
2,4-dibromo-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304794
3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450031
2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257152
N-propan-2-yl-N-(thiophen-2-ylmethyl)propane-2-sulfonamide
CID 61395279
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
4-bromo-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 47435985
5-bromo-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488960
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide
CID 61452159
[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol
CID 61452163
2-amino-4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 63402277
2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 114889562

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 61450114) is 2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is RPSMKTXMOZEUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-10(2)17(9-12-4-3-7-20-12)21(18,19)14-6-5-11(15)8-13(14)16/h3-8,10H,9,16H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61450114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).