N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide

C9H13ClN2O2S2 — CID 103100467

IUPACN-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CNC2)sc1Cl
InChIInChI=1S/C9H13ClN2O2S2/c1-6-3-8(15-9(6)10)16(13,14)12(2)7-4-11-5-7/h3,7,11H,4-5H2,1-2H3
InChIKeyRRCLELZZPUEPQC-UHFFFAOYSA-N
MW280.80 g/mol
LogP1.30
Rot. Bonds3

About N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide

N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide (PubChem CID 103100467) has the molecular formula C9H13ClN2O2S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
PubChem CID103100467
Molecular FormulaC9H13ClN2O2S2
Molecular Weight280.80 g/mol
Exact Mass280.01
IUPAC NameN-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CNC2)sc1Cl
InChIInChI=1S/C9H13ClN2O2S2/c1-6-3-8(15-9(6)10)16(13,14)12(2)7-4-11-5-7/h3,7,11H,4-5H2,1-2H3
InChIKeyRRCLELZZPUEPQC-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099464
5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812
(3aS,6aR)-5-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120714104
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 103100371
5-chloro-N-cyclopropyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631230
5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097
N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100750
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide
CID 103100478
N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide
CID 66188282
5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide
CID 103100118
5-chloro-4-methylthiophene-2-sulfonic acid
CID 89170993

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide (CID 103100467) is N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)C2CNC2)sc1Cl.
What is the InChIKey of N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The InChIKey is RRCLELZZPUEPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2/c1-6-3-8(15-9(6)10)16(13,14)12(2)7-4-11-5-7/h3,7,11H,4-5H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide has a molecular weight of 280.80 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 103100467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).