5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide

C10H15BrN2O4S3 — CID 37308568

IUPAC5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2O4S3/c1-19(14,15)13-6-4-8(5-7-13)12-20(16,17)10-3-2-9(11)18-10/h2-3,8,12H,4-7H2,1H3
InChIKeyRUWYHOWRVWDADP-UHFFFAOYSA-N
MW403.35 g/mol
LogP1.21
Rot. Bonds4

About 5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide

5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 37308568) has the molecular formula C10H15BrN2O4S3 and a molecular weight of 403.35 g/mol. Its IUPAC name is 5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID37308568
Molecular FormulaC10H15BrN2O4S3
Molecular Weight403.35 g/mol
Exact Mass401.94
IUPAC Name5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2O4S3/c1-19(14,15)13-6-4-8(5-7-13)12-20(16,17)10-3-2-9(11)18-10/h2-3,8,12H,4-7H2,1H3
InChIKeyRUWYHOWRVWDADP-UHFFFAOYSA-N
XLogP1.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
5-bromo-N-cyclooctylthiophene-2-sulfonamide
CID 19681116
5-bromo-N-(4-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 43389482
5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71636318
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
CID 115872296
N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 110871311
5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide
CID 113395171
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135
3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 55572265
5-bromothiophene-2-sulfonohydrazide
CID 23464136
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide (CID 37308568) is 5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide is CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is RUWYHOWRVWDADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4S3/c1-19(14,15)13-6-4-8(5-7-13)12-20(16,17)10-3-2-9(11)18-10/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 403.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 37308568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).