N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide

C22H22N4O3S — CID 11015360

IUPACN-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide
SMILESCN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21
InChIInChI=1S/C22H22N4O3S/c1-25(2)30(28,29)26-20-6-4-3-5-18(20)19-15-17(8-9-21(19)26)24-22(27)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,24,27)
InChIKeyOOSJJJCTOBOPML-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.42
Rot. Bonds6

About N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide

N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide (PubChem CID 11015360) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide
PubChem CID11015360
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide
SMILESCN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21
InChIInChI=1S/C22H22N4O3S/c1-25(2)30(28,29)26-20-6-4-3-5-18(20)19-15-17(8-9-21(19)26)24-22(27)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,24,27)
InChIKeyOOSJJJCTOBOPML-UHFFFAOYSA-N
XLogP3.42
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide (CID 11015360) is N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide is CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21.
What is the InChIKey of N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide?
The InChIKey is OOSJJJCTOBOPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-25(2)30(28,29)26-20-6-4-3-5-18(20)19-15-17(8-9-21(19)26)24-22(27)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,24,27).
What are the key properties of N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide?
N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide has a molecular weight of 422.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(dimethylsulfamoyl)carbazol-3-yl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 11015360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).