N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide

C14H16ClNO4S3 — CID 134002462

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H16ClNO4S3/c1-3-16(10-11-7-8-14(15)21-11)23(19,20)13-6-4-5-12(9-13)22(2,17)18/h4-9H,3,10H2,1-2H3
InChIKeyFQZXHBMXJJCXLM-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.02
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide (PubChem CID 134002462) has the molecular formula C14H16ClNO4S3 and a molecular weight of 393.94 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide
PubChem CID134002462
Molecular FormulaC14H16ClNO4S3
Molecular Weight393.94 g/mol
Exact Mass392.99
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H16ClNO4S3/c1-3-16(10-11-7-8-14(15)21-11)23(19,20)13-6-4-5-12(9-13)22(2,17)18/h4-9H,3,10H2,1-2H3
InChIKeyFQZXHBMXJJCXLM-UHFFFAOYSA-N
XLogP3.02
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 9301957
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 9301903
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 9301949
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 61126736
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559480
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 107650976
4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide
CID 152973851
2-amino-4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 63402190
5-[(5-chlorothiophen-2-yl)methyl-ethylsulfamoyl]furan-2-carboxylic acid
CID 60954031
N-[(5-chlorothiophen-2-yl)methyl]-3-methylsulfonyl-N-prop-2-enylbenzamide
CID 51177453
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide
CID 9301914
N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9375200

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide (CID 134002462) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide is CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide?
The InChIKey is FQZXHBMXJJCXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S3/c1-3-16(10-11-7-8-14(15)21-11)23(19,20)13-6-4-5-12(9-13)22(2,17)18/h4-9H,3,10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide has a molecular weight of 393.94 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 134002462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).