N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C19H26N2O3S — CID 112980539

IUPACN-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cc1
InChIInChI=1S/C19H26N2O3S/c1-6-15(4)20-16-7-9-17(10-8-16)21-25(22,23)19-12-14(3)13(2)11-18(19)24-5/h7-12,15,20-21H,6H2,1-5H3
InChIKeyMSKAWOHZABGGQM-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.32
Rot. Bonds7

About N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 112980539) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID112980539
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cc1
InChIInChI=1S/C19H26N2O3S/c1-6-15(4)20-16-7-9-17(10-8-16)21-25(22,23)19-12-14(3)13(2)11-18(19)24-5/h7-12,15,20-21H,6H2,1-5H3
InChIKeyMSKAWOHZABGGQM-UHFFFAOYSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113009809
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113024189
N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100535370
N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39845386
2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982979
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 20963062
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide
CID 112980530

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 112980539) is N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is CCC(C)Nc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is MSKAWOHZABGGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-6-15(4)20-16-7-9-17(10-8-16)21-25(22,23)19-12-14(3)13(2)11-18(19)24-5/h7-12,15,20-21H,6H2,1-5H3.
What are the key properties of N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 112980539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).