2-(1-methoxypropan-2-ylamino)benzenesulfonamide

C10H16N2O3S — CID 43454220

IUPAC2-(1-methoxypropan-2-ylamino)benzenesulfonamide
SMILESCOCC(C)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-8(7-15-2)12-9-5-3-4-6-10(9)16(11,13)14/h3-6,8,12H,7H2,1-2H3,(H2,11,13,14)
InChIKeyRNWHOIPWWWQZGJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.78
Rot. Bonds5

About 2-(1-methoxypropan-2-ylamino)benzenesulfonamide

2-(1-methoxypropan-2-ylamino)benzenesulfonamide (PubChem CID 43454220) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)benzenesulfonamide
PubChem CID43454220
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-(1-methoxypropan-2-ylamino)benzenesulfonamide
SMILESCOCC(C)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-8(7-15-2)12-9-5-3-4-6-10(9)16(11,13)14/h3-6,8,12H,7H2,1-2H3,(H2,11,13,14)
InChIKeyRNWHOIPWWWQZGJ-UHFFFAOYSA-N
XLogP0.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide
CID 114212293
4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid
CID 132649855
2-(2,3-dimethoxypropylamino)benzenesulfonamide
CID 114100732
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 79466776
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
2-(1-cyclopropylethylamino)benzenesulfonamide
CID 43533533
2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide
CID 55086327
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)benzenesulfonamide?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)benzenesulfonamide (CID 43454220) is 2-(1-methoxypropan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)benzenesulfonamide is COCC(C)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)benzenesulfonamide?
The InChIKey is RNWHOIPWWWQZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8(7-15-2)12-9-5-3-4-6-10(9)16(11,13)14/h3-6,8,12H,7H2,1-2H3,(H2,11,13,14).
What are the key properties of 2-(1-methoxypropan-2-ylamino)benzenesulfonamide?
2-(1-methoxypropan-2-ylamino)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43454220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).