3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide

C12H12BrNO2S3 — CID 61456293

IUPAC3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1sccc1Br)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H12BrNO2S3/c13-11-4-6-18-12(11)19(15,16)14(10-1-2-10)7-9-3-5-17-8-9/h3-6,8,10H,1-2,7H2
InChIKeyDHSAAXACYIJKFB-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.93
Rot. Bonds5

About 3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide

3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 61456293) has the molecular formula C12H12BrNO2S3 and a molecular weight of 378.34 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID61456293
Molecular FormulaC12H12BrNO2S3
Molecular Weight378.34 g/mol
Exact Mass376.92
IUPAC Name3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1sccc1Br)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H12BrNO2S3/c13-11-4-6-18-12(11)19(15,16)14(10-1-2-10)7-9-3-5-17-8-9/h3-6,8,10H,1-2,7H2
InChIKeyDHSAAXACYIJKFB-UHFFFAOYSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 61072223
2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433555
3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide
CID 80669651
6-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 62158435
5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61167567
N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide
CID 47082304
2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433464
3-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61456255
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
3-bromo-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 61073287
N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 51055462
N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 95317371

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide (CID 61456293) is 3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(c1sccc1Br)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is DHSAAXACYIJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S3/c13-11-4-6-18-12(11)19(15,16)14(10-1-2-10)7-9-3-5-17-8-9/h3-6,8,10H,1-2,7H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide?
3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 378.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61456293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).