1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene

C14H24N2O3S — CID 46406417

IUPAC1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene
SMILESCCCN(CCC)S(=O)(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-10-16(11-5-2)20(17,18)15-12-13-6-8-14(19-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyHXYCOFKOTZWQOV-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.15
Rot. Bonds9

About 1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene

1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene (PubChem CID 46406417) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene
PubChem CID46406417
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene
SMILESCCCN(CCC)S(=O)(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-10-16(11-5-2)20(17,18)15-12-13-6-8-14(19-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyHXYCOFKOTZWQOV-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
CID 110410258
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene
CID 31076489
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine
CID 47064941
1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene
CID 54936307
N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106058733
4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid
CID 28513568
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene
CID 63237275
1-(4-methoxyphenyl)-N-(phenylsulfonimidoyl)methanamine
CID 175957833

Frequently Asked Questions

What is the IUPAC name of 1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene?
The IUPAC name of 1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene (CID 46406417) is 1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene is CCCN(CCC)S(=O)(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene?
The InChIKey is HXYCOFKOTZWQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-10-16(11-5-2)20(17,18)15-12-13-6-8-14(19-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene?
1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene has a molecular weight of 300.42 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene is sourced from PubChem (CID 46406417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).