2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride

C9H13Cl3N2O2S2 — CID 119974225

IUPAC2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCN1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H12Cl2N2O2S2.ClH/c10-8-4-7(9(11)16-8)17(14,15)13-5-6-2-1-3-12-6;/h4,6,12-13H,1-3,5H2;1H
InChIKeyBPOCFSDHADTLMF-UHFFFAOYSA-N
MW351.71 g/mol
LogP2.51
Rot. Bonds4

About 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride

2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride (PubChem CID 119974225) has the molecular formula C9H13Cl3N2O2S2 and a molecular weight of 351.71 g/mol. Its IUPAC name is 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
PubChem CID119974225
Molecular FormulaC9H13Cl3N2O2S2
Molecular Weight351.71 g/mol
Exact Mass349.95
IUPAC Name2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCN1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H12Cl2N2O2S2.ClH/c10-8-4-7(9(11)16-8)17(14,15)13-5-6-2-1-3-12-6;/h4,6,12-13H,1-3,5H2;1H
InChIKeyBPOCFSDHADTLMF-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974161
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119979396
N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
CID 71213402
2,5-dichloro-N-piperidin-3-ylthiophene-3-sulfonamide;hydrochloride
CID 119964259
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 55249577
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 103806352
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 119974367
5-bromo-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974330

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride (CID 119974225) is 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC1CCCN1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride?
The InChIKey is BPOCFSDHADTLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S2.ClH/c10-8-4-7(9(11)16-8)17(14,15)13-5-6-2-1-3-12-6;/h4,6,12-13H,1-3,5H2;1H.
What are the key properties of 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride?
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride has a molecular weight of 351.71 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119974225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).