N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide

C14H13BrClNO2S2 — CID 80578200

IUPACN-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide
SMILESO=S(=O)(c1cc(Cl)c(Br)s1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H13BrClNO2S2/c15-14-12(16)8-13(20-14)21(18,19)17(11-6-7-11)9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2
InChIKeyIYZRRSXPTWUEHF-UHFFFAOYSA-N
MW406.75 g/mol
LogP4.52
Rot. Bonds5

About N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide

N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide (PubChem CID 80578200) has the molecular formula C14H13BrClNO2S2 and a molecular weight of 406.75 g/mol. Its IUPAC name is N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide
PubChem CID80578200
Molecular FormulaC14H13BrClNO2S2
Molecular Weight406.75 g/mol
Exact Mass404.93
IUPAC NameN-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide
SMILESO=S(=O)(c1cc(Cl)c(Br)s1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H13BrClNO2S2/c15-14-12(16)8-13(20-14)21(18,19)17(11-6-7-11)9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2
InChIKeyIYZRRSXPTWUEHF-UHFFFAOYSA-N
XLogP4.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.75
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 26531289
2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide
CID 43576284
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80577585
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 24663505
5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80579973
N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80576976
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-methylamino]benzoic acid
CID 80577082
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542
5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide
CID 63979084
N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide
CID 43460927

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide?
The IUPAC name of N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide (CID 80578200) is N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide is O=S(=O)(c1cc(Cl)c(Br)s1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide?
The InChIKey is IYZRRSXPTWUEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S2/c15-14-12(16)8-13(20-14)21(18,19)17(11-6-7-11)9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2.
What are the key properties of N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide?
N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide has a molecular weight of 406.75 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide is sourced from PubChem (CID 80578200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).