5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide

C11H19ClN2O2S2 — CID 2104271

IUPAC5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2O2S2/c1-11(2,8-14(3)4)7-13-18(15,16)10-6-5-9(12)17-10/h5-6,13H,7-8H2,1-4H3
InChIKeyQIHCCTRPRWSWMI-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.27
Rot. Bonds6

About 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide

5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide (PubChem CID 2104271) has the molecular formula C11H19ClN2O2S2 and a molecular weight of 310.87 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide
PubChem CID2104271
Molecular FormulaC11H19ClN2O2S2
Molecular Weight310.87 g/mol
Exact Mass310.06
IUPAC Name5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2O2S2/c1-11(2,8-14(3)4)7-13-18(15,16)10-6-5-9(12)17-10/h5-6,13H,7-8H2,1-4H3
InChIKeyQIHCCTRPRWSWMI-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-hexylthiophene-2-sulfonamide
CID 3239984
5-chloro-N-[3-(dimethylamino)propyl]thiophene-2-sulfonamide
CID 2099187
2,5-dichloro-N-[3-(dimethylamino)propyl]thiophene-3-sulfonamide
CID 2805382
5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide
CID 4082154
N-(3-amino-2,2-difluoropropyl)-5-chlorothiophene-2-sulfonamide
CID 114384052
N-butan-2-yl-5-chlorothiophene-2-sulfonamide
CID 2942670
4,5-dichloro-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 6737046
5-chloro-N-((1-methylpiperidin-4-yl)methyl)thiophene-2-sulfonamide
CID 16887461
5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide
CID 17409083
1-(5-Chlorothiophen-2-yl)sulfonyl-4-propylpiperazine
CID 22772806
N-[3-(azepan-1-yl)propyl]-5-chlorothiophene-2-sulfonamide
CID 40569437
5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide;hydrochloride
CID 126479744

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide (CID 2104271) is 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide?
The InChIKey is QIHCCTRPRWSWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2S2/c1-11(2,8-14(3)4)7-13-18(15,16)10-6-5-9(12)17-10/h5-6,13H,7-8H2,1-4H3.
What are the key properties of 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide has a molecular weight of 310.87 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2104271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).