5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride

C10H16Cl2N2O2S2 — CID 120721094

IUPAC5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC2CCNC2)sc1Cl.Cl
InChIInChI=1S/C10H15ClN2O2S2.ClH/c1-7-4-9(16-10(7)11)17(14,15)13-6-8-2-3-12-5-8;/h4,8,12-13H,2-3,5-6H2,1H3;1H
InChIKeyHFSDNTOXSKDTET-UHFFFAOYSA-N
MW331.29 g/mol
LogP2.02
Rot. Bonds4

About 5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride

5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 120721094) has the molecular formula C10H16Cl2N2O2S2 and a molecular weight of 331.29 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID120721094
Molecular FormulaC10H16Cl2N2O2S2
Molecular Weight331.29 g/mol
Exact Mass330.00
IUPAC Name5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC2CCNC2)sc1Cl.Cl
InChIInChI=1S/C10H15ClN2O2S2.ClH/c1-7-4-9(16-10(7)11)17(14,15)13-6-8-2-3-12-5-8;/h4,8,12-13H,2-3,5-6H2,1H3;1H
InChIKeyHFSDNTOXSKDTET-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 103100386
5-chloro-4-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 120710051
2,5-dichloro-3,6-dimethyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563440
5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 103100529
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720902
5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119968668
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 103100358
5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide
CID 128586351
5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812
5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride (CID 120721094) is 5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCC2CCNC2)sc1Cl.Cl.
What is the InChIKey of 5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is HFSDNTOXSKDTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2.ClH/c1-7-4-9(16-10(7)11)17(14,15)13-6-8-2-3-12-5-8;/h4,8,12-13H,2-3,5-6H2,1H3;1H.
What are the key properties of 5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120721094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).