N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide

C18H24N2O3S — CID 112987807

IUPACN-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C18H24N2O3S/c1-4-13-24(21,22)20-16-11-9-15(10-12-16)19-17-7-5-6-8-18(17)23-14(2)3/h5-12,14,19-20H,4,13H2,1-3H3
InChIKeyHGBJCSSSLJRVAI-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.37
Rot. Bonds8

About N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide

N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide (PubChem CID 112987807) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide
PubChem CID112987807
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C18H24N2O3S/c1-4-13-24(21,22)20-16-11-9-15(10-12-16)19-17-7-5-6-8-18(17)23-14(2)3/h5-12,14,19-20H,4,13H2,1-3H3
InChIKeyHGBJCSSSLJRVAI-UHFFFAOYSA-N
XLogP4.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113048664
N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline
CID 117027387
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891
N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
CID 112989699
N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112986795
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
methyl 2-[4-(butylsulfonylamino)anilino]benzoate
CID 112988467
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
2-(butylsulfonylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999026
5-(dimethylsulfamoylamino)-2-(2-propan-2-yloxyanilino)pyridine
CID 113019877

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide (CID 112987807) is N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccccc2OC(C)C)cc1.
What is the InChIKey of N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide?
The InChIKey is HGBJCSSSLJRVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-13-24(21,22)20-16-11-9-15(10-12-16)19-17-7-5-6-8-18(17)23-14(2)3/h5-12,14,19-20H,4,13H2,1-3H3.
What are the key properties of N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide?
N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112987807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).