5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide

C10H15Cl2NO2S2 — CID 103100693

IUPAC5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide
SMILESCCCN(CCCl)S(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C10H15Cl2NO2S2/c1-3-5-13(6-4-11)17(14,15)9-7-8(2)10(12)16-9/h7H,3-6H2,1-2H3
InChIKeyNGEJLNFLKLTRGR-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.35
Rot. Bonds6

About 5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide

5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide (PubChem CID 103100693) has the molecular formula C10H15Cl2NO2S2 and a molecular weight of 316.28 g/mol. Its IUPAC name is 5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide
PubChem CID103100693
Molecular FormulaC10H15Cl2NO2S2
Molecular Weight316.28 g/mol
Exact Mass314.99
IUPAC Name5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide
SMILESCCCN(CCCl)S(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C10H15Cl2NO2S2/c1-3-5-13(6-4-11)17(14,15)9-7-8(2)10(12)16-9/h7H,3-6H2,1-2H3
InChIKeyNGEJLNFLKLTRGR-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.35
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

5-bromo-4-chloro-N-(2-chloroethyl)-N-propylthiophene-2-sulfonamide
CID 80578653
5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
CID 103100248
N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100750
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 103100371
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
CID 103099958
ethyl 3-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-methylamino]propanoate
CID 103100582
2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide
CID 63397021
5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097
3-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 103100639
4-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-propan-2-ylamino]butanoic acid
CID 103099638
2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 107206301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide (CID 103100693) is 5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide is CCCN(CCCl)S(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide?
The InChIKey is NGEJLNFLKLTRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2NO2S2/c1-3-5-13(6-4-11)17(14,15)9-7-8(2)10(12)16-9/h7H,3-6H2,1-2H3.
What are the key properties of 5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide?
5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide has a molecular weight of 316.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 103100693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).