N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide

C11H17BrClNO2S2 — CID 107206301

IUPACN-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCCCCBr)sc1Cl
InChIInChI=1S/C11H17BrClNO2S2/c1-9-8-10(17-11(9)13)18(15,16)14(2)7-5-3-4-6-12/h8H,3-7H2,1-2H3
InChIKeyBFPAPZZMFMLWPT-UHFFFAOYSA-N
MW374.75 g/mol
LogP3.90
Rot. Bonds7

About N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide

N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide (PubChem CID 107206301) has the molecular formula C11H17BrClNO2S2 and a molecular weight of 374.75 g/mol. Its IUPAC name is N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
PubChem CID107206301
Molecular FormulaC11H17BrClNO2S2
Molecular Weight374.75 g/mol
Exact Mass372.96
IUPAC NameN-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCCCCBr)sc1Cl
InChIInChI=1S/C11H17BrClNO2S2/c1-9-8-10(17-11(9)13)18(15,16)14(2)7-5-3-4-6-12/h8H,3-7H2,1-2H3
InChIKeyBFPAPZZMFMLWPT-UHFFFAOYSA-N
XLogP3.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100750
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 106441810
ethyl 3-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-methylamino]propanoate
CID 103100582
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 106441802
N-[(2-aminophenyl)methyl]-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099506
5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812
5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide
CID 103100693
N-(5-bromopentyl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
CID 107206320
4-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-propan-2-ylamino]butanoic acid
CID 103099638
N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100467
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide (CID 107206301) is N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)CCCCCBr)sc1Cl.
What is the InChIKey of N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The InChIKey is BFPAPZZMFMLWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClNO2S2/c1-9-8-10(17-11(9)13)18(15,16)14(2)7-5-3-4-6-12/h8H,3-7H2,1-2H3.
What are the key properties of N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide has a molecular weight of 374.75 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 107206301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).