4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide

C14H18N2O3S — CID 110789246

IUPAC4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccn(C)c2)cc1
InChIInChI=1S/C14H18N2O3S/c1-16-10-8-12(11-16)7-9-15-20(17,18)14-5-3-13(19-2)4-6-14/h3-6,8,10-11,15H,7,9H2,1-2H3
InChIKeyLTMPKFDVHBUJCM-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.55
Rot. Bonds6

About 4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide

4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110789246) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110789246
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccn(C)c2)cc1
InChIInChI=1S/C14H18N2O3S/c1-16-10-8-12(11-16)7-9-15-20(17,18)14-5-3-13(19-2)4-6-14/h3-6,8,10-11,15H,7,9H2,1-2H3
InChIKeyLTMPKFDVHBUJCM-UHFFFAOYSA-N
XLogP1.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789250
2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789260
4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789307
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 19844131
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
5-chloro-2-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789299
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide (CID 110789246) is 4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccn(C)c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is LTMPKFDVHBUJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16-10-8-12(11-16)7-9-15-20(17,18)14-5-3-13(19-2)4-6-14/h3-6,8,10-11,15H,7,9H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).