2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C14H15BrN2O2S2 — CID 61433555

IUPAC2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H15BrN2O2S2/c15-11-1-4-14(13(16)7-11)21(18,19)17(12-2-3-12)8-10-5-6-20-9-10/h1,4-7,9,12H,2-3,8,16H2
InChIKeyLNBCIAFHQLZIPN-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.45
Rot. Bonds5

About 2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 61433555) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID61433555
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H15BrN2O2S2/c15-11-1-4-14(13(16)7-11)21(18,19)17(12-2-3-12)8-10-5-6-20-9-10/h1,4-7,9,12H,2-3,8,16H2
InChIKeyLNBCIAFHQLZIPN-UHFFFAOYSA-N
XLogP3.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.45
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-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433464
4-bromo-1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 55135535
3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 61456293
5-bromo-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 79712882
6-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 62158435
N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 51055462
2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide
CID 43576284
5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61167567
N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide
CID 47082304
4-bromo-2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 114901541
2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline
CID 63785701
N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 63458323

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 61433555) is 2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is LNBCIAFHQLZIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c15-11-1-4-14(13(16)7-11)21(18,19)17(12-2-3-12)8-10-5-6-20-9-10/h1,4-7,9,12H,2-3,8,16H2.
What are the key properties of 2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 387.32 g/mol, XLogP of 3.45, 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-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61433555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).