N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C21H18N4O3S — CID 2554557

IUPACN-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc21
InChIInChI=1S/C21H18N4O3S/c1-2-25-19-6-4-3-5-15(19)16-11-13(7-10-20(16)25)24-29(27,28)14-8-9-17-18(12-14)23-21(26)22-17/h3-12,24H,2H2,1H3,(H2,22,23,26)
InChIKeyZANWXYUOFMVFJQ-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.78
Rot. Bonds4

About N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 2554557) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID2554557
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc21
InChIInChI=1S/C21H18N4O3S/c1-2-25-19-6-4-3-5-15(19)16-11-13(7-10-20(16)25)24-29(27,28)14-8-9-17-18(12-14)23-21(26)22-17/h3-12,24H,2H2,1H3,(H2,22,23,26)
InChIKeyZANWXYUOFMVFJQ-UHFFFAOYSA-N
XLogP3.78
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide
CID 1048274
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602602
3-chloro-N-(9-ethylcarbazol-3-yl)-5-methoxybenzenesulfonamide
CID 59334960
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 60617944
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772876
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]phenyl]propanamide
CID 50796979
N-ethyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-phenylbenzamide
CID 46545903
2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453
1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
CID 17252069
4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide
CID 2377808

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 2554557) is N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is ZANWXYUOFMVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-2-25-19-6-4-3-5-15(19)16-11-13(7-10-20(16)25)24-29(27,28)14-8-9-17-18(12-14)23-21(26)22-17/h3-12,24H,2H2,1H3,(H2,22,23,26).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 406.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 2554557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).