4-amino-3-(4-methylsulfonylanilino)benzamide

C14H15N3O3S — CID 63355958

IUPAC4-amino-3-(4-methylsulfonylanilino)benzamide
SMILESCS(=O)(=O)c1ccc(Nc2cc(C(N)=O)ccc2N)cc1
InChIInChI=1S/C14H15N3O3S/c1-21(19,20)11-5-3-10(4-6-11)17-13-8-9(14(16)18)2-7-12(13)15/h2-8,17H,15H2,1H3,(H2,16,18)
InChIKeySLUMMVOXMFYJTR-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-3-(4-methylsulfonylanilino)benzamide

4-amino-3-(4-methylsulfonylanilino)benzamide (PubChem CID 63355958) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-amino-3-(4-methylsulfonylanilino)benzamide.

Molecular Properties

Compound Name4-amino-3-(4-methylsulfonylanilino)benzamide
PubChem CID63355958
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-amino-3-(4-methylsulfonylanilino)benzamide
SMILESCS(=O)(=O)c1ccc(Nc2cc(C(N)=O)ccc2N)cc1
InChIInChI=1S/C14H15N3O3S/c1-21(19,20)11-5-3-10(4-6-11)17-13-8-9(14(16)18)2-7-12(13)15/h2-8,17H,15H2,1H3,(H2,16,18)
InChIKeySLUMMVOXMFYJTR-UHFFFAOYSA-N
XLogP1.51
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(4-bromoanilino)benzamide
CID 63356088
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
2-amino-5-(4-methylsulfonylanilino)benzoic acid
CID 60989498
4-amino-3-(3-iodoanilino)benzamide
CID 63355912
4-amino-3-(2-bromoanilino)benzamide
CID 55191226
4-amino-3-(2,6-dibromoanilino)benzamide
CID 107596524
4-iodo-1-N-(4-methylsulfonylphenyl)benzene-1,2-diamine
CID 66066064
4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide
CID 82796373
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
4-amino-3-(2,6-dichloroanilino)benzamide
CID 65468318
3-(4-methylsulfonylanilino)benzoic acid
CID 43453294
4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide
CID 107787000

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methylsulfonylanilino)benzamide?
The IUPAC name of 4-amino-3-(4-methylsulfonylanilino)benzamide (CID 63355958) is 4-amino-3-(4-methylsulfonylanilino)benzamide.
What is the SMILES notation for 4-amino-3-(4-methylsulfonylanilino)benzamide?
The canonical SMILES for 4-amino-3-(4-methylsulfonylanilino)benzamide is CS(=O)(=O)c1ccc(Nc2cc(C(N)=O)ccc2N)cc1.
What is the InChIKey of 4-amino-3-(4-methylsulfonylanilino)benzamide?
The InChIKey is SLUMMVOXMFYJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-21(19,20)11-5-3-10(4-6-11)17-13-8-9(14(16)18)2-7-12(13)15/h2-8,17H,15H2,1H3,(H2,16,18).
What are the key properties of 4-amino-3-(4-methylsulfonylanilino)benzamide?
4-amino-3-(4-methylsulfonylanilino)benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methylsulfonylanilino)benzamide is sourced from PubChem (CID 63355958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).