5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide

C19H17N3O4S — CID 7573846

IUPAC5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide
SMILESCc1ccc2cc(S(=O)(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)ccc2c1
InChIInChI=1S/C19H17N3O4S/c1-11-2-3-13-10-17(5-4-12(13)6-11)27(25,26)22-16-8-14(18(20)23)7-15(9-16)19(21)24/h2-10,22H,1H3,(H2,20,23)(H2,21,24)
InChIKeyBTRNIOKLYRXSNM-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.15
Rot. Bonds5

About 5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide

5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide (PubChem CID 7573846) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide
PubChem CID7573846
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide
SMILESCc1ccc2cc(S(=O)(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)ccc2c1
InChIInChI=1S/C19H17N3O4S/c1-11-2-3-13-10-17(5-4-12(13)6-11)27(25,26)22-16-8-14(18(20)23)7-15(9-16)19(21)24/h2-10,22H,1H3,(H2,20,23)(H2,21,24)
InChIKeyBTRNIOKLYRXSNM-UHFFFAOYSA-N
XLogP2.15
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
5-[[6-[[6-[(3,5-dicarboxyphenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalen-2-yl]sulfonylamino]benzene-1,3-dicarboxylic acid
CID 22041806
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
CID 7573844
3-[(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 29047104
dipropan-2-yl 5-[(4-methylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773030
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773009
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide (CID 7573846) is 5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide is Cc1ccc2cc(S(=O)(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)ccc2c1.
What is the InChIKey of 5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide?
The InChIKey is BTRNIOKLYRXSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-11-2-3-13-10-17(5-4-12(13)6-11)27(25,26)22-16-8-14(18(20)23)7-15(9-16)19(21)24/h2-10,22H,1H3,(H2,20,23)(H2,21,24).
What are the key properties of 5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide?
5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 7573846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).