N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide

C16H16ClNO4S — CID 47038015

IUPACN-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16ClNO4S/c1-22-15-8-7-12(17)11-14(15)16(19)18-9-10-23(20,21)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyUWQHCBSZNLVNHV-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide

N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide (PubChem CID 47038015) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
PubChem CID47038015
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16ClNO4S/c1-22-15-8-7-12(17)11-14(15)16(19)18-9-10-23(20,21)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyUWQHCBSZNLVNHV-UHFFFAOYSA-N
XLogP2.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide
CID 78902463
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CID 47038001
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
CID 110357946
5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide
CID 108572214
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide (CID 47038015) is N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide?
The InChIKey is UWQHCBSZNLVNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-22-15-8-7-12(17)11-14(15)16(19)18-9-10-23(20,21)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide?
N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide has a molecular weight of 353.83 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 47038015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).