4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide

C15H20N2O3S — CID 110789471

IUPAC4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCc2cc[nH]c2)c(C)c1
InChIInChI=1S/C15H20N2O3S/c1-11-8-14(20-3)9-12(2)15(11)21(18,19)17-7-5-13-4-6-16-10-13/h4,6,8-10,16-17H,5,7H2,1-3H3
InChIKeyAJSRAUBQPLBDCI-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.16
Rot. Bonds6

About 4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide

4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110789471) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110789471
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCc2cc[nH]c2)c(C)c1
InChIInChI=1S/C15H20N2O3S/c1-11-8-14(20-3)9-12(2)15(11)21(18,19)17-7-5-13-4-6-16-10-13/h4,6,8-10,16-17H,5,7H2,1-3H3
InChIKeyAJSRAUBQPLBDCI-UHFFFAOYSA-N
XLogP2.16
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789435
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 94143746
4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717621
N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 103858918
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]pentanoic acid
CID 62034487
4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716657
2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782771
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110292165
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
N-(2-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 65112859
3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789489
4-methoxy-2,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782776

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide (CID 110789471) is 4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCc2cc[nH]c2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is AJSRAUBQPLBDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-8-14(20-3)9-12(2)15(11)21(18,19)17-7-5-13-4-6-16-10-13/h4,6,8-10,16-17H,5,7H2,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).