2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide

C17H18Cl2N2O4S2 — CID 10127500

IUPAC2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cscc1CC(=O)N1CCOCC1
InChIInChI=1S/C17H18Cl2N2O4S2/c1-11-6-13(18)8-14(19)17(11)27(23,24)20-15-10-26-9-12(15)7-16(22)21-2-4-25-5-3-21/h6,8-10,20H,2-5,7H2,1H3
InChIKeyKKRFDRUOMZGOOG-UHFFFAOYSA-N
MW449.38 g/mol
LogP3.57
Rot. Bonds5

About 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide

2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide (PubChem CID 10127500) has the molecular formula C17H18Cl2N2O4S2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
PubChem CID10127500
Molecular FormulaC17H18Cl2N2O4S2
Molecular Weight449.38 g/mol
Exact Mass448.01
IUPAC Name2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cscc1CC(=O)N1CCOCC1
InChIInChI=1S/C17H18Cl2N2O4S2/c1-11-6-13(18)8-14(19)17(11)27(23,24)20-15-10-26-9-12(15)7-16(22)21-2-4-25-5-3-21/h6,8-10,20H,2-5,7H2,1H3
InChIKeyKKRFDRUOMZGOOG-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 11294744
N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 10174476
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 87545701
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225
2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22027951
4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028078
2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663268
(2-morpholin-4-yl-2-oxoethyl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 16531806
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide
CID 10151681
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
N-(5-chloro-2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025546

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide (CID 10127500) is 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cscc1CC(=O)N1CCOCC1.
What is the InChIKey of 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is KKRFDRUOMZGOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S2/c1-11-6-13(18)8-14(19)17(11)27(23,24)20-15-10-26-9-12(15)7-16(22)21-2-4-25-5-3-21/h6,8-10,20H,2-5,7H2,1H3.
What are the key properties of 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide?
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 449.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 10127500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).