5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide

C14H16ClNO4S3 — CID 55556486

IUPAC5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO4S3/c1-10(11-4-6-12(7-5-11)22(3,17)18)16(2)23(19,20)14-9-8-13(15)21-14/h4-10H,1-3H3
InChIKeyZOSRIPMJNRNHIN-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.19
Rot. Bonds5

About 5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide

5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 55556486) has the molecular formula C14H16ClNO4S3 and a molecular weight of 393.94 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID55556486
Molecular FormulaC14H16ClNO4S3
Molecular Weight393.94 g/mol
Exact Mass392.99
IUPAC Name5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO4S3/c1-10(11-4-6-12(7-5-11)22(3,17)18)16(2)23(19,20)14-9-8-13(15)21-14/h4-10H,1-3H3
InChIKeyZOSRIPMJNRNHIN-UHFFFAOYSA-N
XLogP3.19
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N,4-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-nitrobenzenesulfonamide
CID 55556491
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 55556490
N,2,3-trimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-nitrobenzenesulfonamide
CID 42947469
5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide
CID 75450241
2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide
CID 61043471
N,2-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-5-nitrobenzenesulfonamide
CID 39984820
5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
CID 26957732
1-(4-methylsulfonylphenyl)ethanethiol
CID 43124121
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide
CID 152973851
N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide
CID 106268141
(E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide
CID 42947447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide (CID 55556486) is 5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZOSRIPMJNRNHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S3/c1-10(11-4-6-12(7-5-11)22(3,17)18)16(2)23(19,20)14-9-8-13(15)21-14/h4-10H,1-3H3.
What are the key properties of 5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 393.94 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55556486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).