4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C26H33N5O5S2 — CID 18560761

IUPAC4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C26H33N5O5S2/c1-4-6-18-31(19-7-5-2)38(35,36)24-12-8-21(9-13-24)25(32)29-22-10-14-23(15-11-22)37(33,34)30-26-27-17-16-20(3)28-26/h8-17H,4-7,18-19H2,1-3H3,(H,29,32)(H,27,28,30)
InChIKeyASJNKLSYJLHRSI-UHFFFAOYSA-N
MW559.71 g/mol
LogP4.43
Rot. Bonds13

About 4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 18560761) has the molecular formula C26H33N5O5S2 and a molecular weight of 559.71 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID18560761
Molecular FormulaC26H33N5O5S2
Molecular Weight559.71 g/mol
Exact Mass559.19
IUPAC Name4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C26H33N5O5S2/c1-4-6-18-31(19-7-5-2)38(35,36)24-12-8-21(9-13-24)25(32)29-22-10-14-23(15-11-22)37(33,34)30-26-27-17-16-20(3)28-26/h8-17H,4-7,18-19H2,1-3H3,(H,29,32)(H,27,28,30)
InChIKeyASJNKLSYJLHRSI-UHFFFAOYSA-N
XLogP4.43
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.71
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147322
4-[butyl(ethyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 18590094
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147353
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide;hydrochloride
CID 163328969
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 30396309
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147450
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 43915430
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
1-butyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153581
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 43908824

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 18560761) is 4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1.
What is the InChIKey of 4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is ASJNKLSYJLHRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5S2/c1-4-6-18-31(19-7-5-2)38(35,36)24-12-8-21(9-13-24)25(32)29-22-10-14-23(15-11-22)37(33,34)30-26-27-17-16-20(3)28-26/h8-17H,4-7,18-19H2,1-3H3,(H,29,32)(H,27,28,30).
What are the key properties of 4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 559.71 g/mol, XLogP of 4.43, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18560761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).