N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide

C16H18N2O3S — CID 112980023

IUPACN-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC3CC3)cc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-21-15-8-10-16(11-9-15)22(19,20)18-14-6-4-13(5-7-14)17-12-2-3-12/h4-12,17-18H,2-3H2,1H3
InChIKeyFZSIDXNWNFHTDF-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.07
Rot. Bonds6

About N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide

N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 112980023) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
PubChem CID112980023
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC3CC3)cc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-21-15-8-10-16(11-9-15)22(19,20)18-14-6-4-13(5-7-14)17-12-2-3-12/h4-12,17-18H,2-3H2,1H3
InChIKeyFZSIDXNWNFHTDF-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide
CID 102481786
N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide (CID 112980023) is N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NC3CC3)cc2)cc1.
What is the InChIKey of N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is FZSIDXNWNFHTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-21-15-8-10-16(11-9-15)22(19,20)18-14-6-4-13(5-7-14)17-12-2-3-12/h4-12,17-18H,2-3H2,1H3.
What are the key properties of N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide?
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 112980023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).