2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide

C16H20N2O2S — CID 62146693

IUPAC2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NCc1cccc(C)c1
InChIInChI=1S/C16H20N2O2S/c1-3-17-15-9-4-5-10-16(15)21(19,20)18-12-14-8-6-7-13(2)11-14/h4-11,17-18H,3,12H2,1-2H3
InChIKeyCDUCCQFIDQWXOK-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.91
Rot. Bonds6

About 2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide

2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 62146693) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID62146693
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NCc1cccc(C)c1
InChIInChI=1S/C16H20N2O2S/c1-3-17-15-9-4-5-10-16(15)21(19,20)18-12-14-8-6-7-13(2)11-14/h4-11,17-18H,3,12H2,1-2H3
InChIKeyCDUCCQFIDQWXOK-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(ethylamino)benzenesulfonamide
CID 62148548
N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide
CID 62150324
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146869
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
2-(ethylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143225
2-bromo-4-fluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47264299
N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide
CID 135018070
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 62146693) is 2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide is CCNc1ccccc1S(=O)(=O)NCc1cccc(C)c1.
What is the InChIKey of 2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is CDUCCQFIDQWXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-17-15-9-4-5-10-16(15)21(19,20)18-12-14-8-6-7-13(2)11-14/h4-11,17-18H,3,12H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide?
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 62146693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).