1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide

C32H30N8O6S2 — CID 4549702

IUPAC1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)n1
InChIInChI=1S/C32H30N8O6S2/c1-19-17-20(2)34-31(33-19)39-47(43,44)25-13-9-23(10-14-25)37-29(41)27-7-5-6-8-28(27)30(42)38-24-11-15-26(16-12-24)48(45,46)40-32-35-21(3)18-22(4)36-32/h5-18H,1-4H3,(H,37,41)(H,38,42)(H,33,34,39)(H,35,36,40)
InChIKeyCDSQYHDCVVLDEP-UHFFFAOYSA-N
MW686.78 g/mol
LogP4.61
Rot. Bonds10

About 1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide

1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide (PubChem CID 4549702) has the molecular formula C32H30N8O6S2 and a molecular weight of 686.78 g/mol. Its IUPAC name is 1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
PubChem CID4549702
Molecular FormulaC32H30N8O6S2
Molecular Weight686.78 g/mol
Exact Mass686.17
IUPAC Name1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)n1
InChIInChI=1S/C32H30N8O6S2/c1-19-17-20(2)34-31(33-19)39-47(43,44)25-13-9-23(10-14-25)37-29(41)27-7-5-6-8-28(27)30(42)38-24-11-15-26(16-12-24)48(45,46)40-32-35-21(3)18-22(4)36-32/h5-18H,1-4H3,(H,37,41)(H,38,42)(H,33,34,39)(H,35,36,40)
InChIKeyCDSQYHDCVVLDEP-UHFFFAOYSA-N
XLogP4.61
TPSA202.10 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500686.78
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695
2-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-iodobenzamide
CID 43914888
methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 1187341
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1106549
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 4199590
4-(diethylphosphorylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 134111248
[2,4-dibromo-6-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl] acetate
CID 5245394

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide (CID 4549702) is 1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)n1.
What is the InChIKey of 1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide?
The InChIKey is CDSQYHDCVVLDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O6S2/c1-19-17-20(2)34-31(33-19)39-47(43,44)25-13-9-23(10-14-25)37-29(41)27-7-5-6-8-28(27)30(42)38-24-11-15-26(16-12-24)48(45,46)40-32-35-21(3)18-22(4)36-32/h5-18H,1-4H3,(H,37,41)(H,38,42)(H,33,34,39)(H,35,36,40).
What are the key properties of 1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide?
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide has a molecular weight of 686.78 g/mol, XLogP of 4.61, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 4549702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).