2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide

C8H10Cl3NO2S2 — CID 104556518

IUPAC2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide
SMILESCC(CCl)N(C)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H10Cl3NO2S2/c1-5(4-9)12(2)16(13,14)6-3-7(10)15-8(6)11/h3,5H,4H2,1-2H3
InChIKeyDWPHSGKTTAPNLT-UHFFFAOYSA-N
MW322.67 g/mol
LogP3.30
Rot. Bonds4

About 2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide

2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide (PubChem CID 104556518) has the molecular formula C8H10Cl3NO2S2 and a molecular weight of 322.67 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide
PubChem CID104556518
Molecular FormulaC8H10Cl3NO2S2
Molecular Weight322.67 g/mol
Exact Mass320.92
IUPAC Name2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide
SMILESCC(CCl)N(C)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H10Cl3NO2S2/c1-5(4-9)12(2)16(13,14)6-3-7(10)15-8(6)11/h3,5H,4H2,1-2H3
InChIKeyDWPHSGKTTAPNLT-UHFFFAOYSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.67
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(2,5-Dichloro-3-thienyl)sulfonyl]pyrrolidine
CID 2805365
5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide
CID 2820980
5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 107492800
2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 107492812
5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 107492999
2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 107493010
N-(sec-butyl)-5-chloro-2-thiophenesulfonamide
CID 2942670
4-(2,5-Dichlorothiophen-3-yl)sulfonylthiomorpholine
CID 3344391
2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide
CID 6735692
1-(2,5-Dichlorothiophen-3-yl)sulfonyl-2-propan-2-ylguanidine
CID 11702436
2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide
CID 20637212
N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide
CID 893448

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide (CID 104556518) is 2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide is CC(CCl)N(C)S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide?
The InChIKey is DWPHSGKTTAPNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl3NO2S2/c1-5(4-9)12(2)16(13,14)6-3-7(10)15-8(6)11/h3,5H,4H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide?
2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide has a molecular weight of 322.67 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 104556518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).