N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide

C12H20N2O3S — CID 64603296

IUPACN-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C12H20N2O3S/c1-10(8-9-17-3)14-18(15,16)12-7-5-4-6-11(12)13-2/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyRMBGSMAFIOPRAJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.43
Rot. Bonds7

About N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide

N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide (PubChem CID 64603296) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide
PubChem CID64603296
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C12H20N2O3S/c1-10(8-9-17-3)14-18(15,16)12-7-5-4-6-11(12)13-2/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyRMBGSMAFIOPRAJ-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089
N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide
CID 64605130
2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 106067499
2-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605123
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141493
3-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-2-sulfonamide
CID 103301657
N-(4-methoxybutan-2-yl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 64605334
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602405

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide (CID 64603296) is N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)NC(C)CCOC.
What is the InChIKey of N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide?
The InChIKey is RMBGSMAFIOPRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(8-9-17-3)14-18(15,16)12-7-5-4-6-11(12)13-2/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide?
N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 64603296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).