5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide

C11H15ClN2O4S2 — CID 80741858

IUPAC5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H15ClN2O4S2/c1-11(2)5-3-4-8(11)13-20(17,18)9-6-7(14(15)16)10(12)19-9/h6,8,13H,3-5H2,1-2H3
InChIKeyVEDKSCVZDGGHIV-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.17
Rot. Bonds4

About 5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide

5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80741858) has the molecular formula C11H15ClN2O4S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide
PubChem CID80741858
Molecular FormulaC11H15ClN2O4S2
Molecular Weight338.84 g/mol
Exact Mass338.02
IUPAC Name5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H15ClN2O4S2/c1-11(2)5-3-4-8(11)13-20(17,18)9-6-7(14(15)16)10(12)19-9/h6,8,13H,3-5H2,1-2H3
InChIKeyVEDKSCVZDGGHIV-UHFFFAOYSA-N
XLogP3.17
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742266
5-bromo-4-chloro-N-(2,2-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 80580128
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
5-chloro-N-(2,6-dioxopiperidin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80734680
5-chloro-N-(1-ethylpiperidin-4-yl)-4-nitrothiophene-2-sulfonamide
CID 80735211
5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide
CID 80742177
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
2-[1-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]cyclobutyl]acetic acid
CID 80735922
2-amino-N-(2,2-dimethylcyclopentyl)-4-nitrobenzenesulfonamide
CID 79870556
5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide (CID 80741858) is 5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide is CC1(C)CCCC1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is VEDKSCVZDGGHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S2/c1-11(2)5-3-4-8(11)13-20(17,18)9-6-7(14(15)16)10(12)19-9/h6,8,13H,3-5H2,1-2H3.
What are the key properties of 5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 338.84 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylcyclopentyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80741858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).