6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide

C16H18N4O4S — CID 53380635

IUPAC6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESCNC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)NCC(C)O)cc12
InChIInChI=1S/C16H18N4O4S/c1-9(21)8-19-25(23,24)10-3-4-13-12(7-10)11-5-6-18-15(14(11)20-13)16(22)17-2/h3-7,9,19-21H,8H2,1-2H3,(H,17,22)
InChIKeyYUZSSLVFVDOGBD-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.73
Rot. Bonds5

About 6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide

6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 53380635) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID53380635
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESCNC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)NCC(C)O)cc12
InChIInChI=1S/C16H18N4O4S/c1-9(21)8-19-25(23,24)10-3-4-13-12(7-10)11-5-6-18-15(14(11)20-13)16(22)17-2/h3-7,9,19-21H,8H2,1-2H3,(H,17,22)
InChIKeyYUZSSLVFVDOGBD-UHFFFAOYSA-N
XLogP0.73
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 53380421
6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 53380419
N-[[1-(hydroxymethyl)-9H-pyrido[3,4-b]indol-6-yl]sulfonyl]acetamide
CID 53379660
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
N-[(2R)-2-hydroxypropyl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 24984295
N-[(2S)-2-hydroxypropyl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 24984292
N-[(2S)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide
CID 25120623
N-[(2R)-2-hydroxypropyl]-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-sulfonamide
CID 25120625
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid
CID 107216066

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide (CID 53380635) is 6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide is CNC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)NCC(C)O)cc12.
What is the InChIKey of 6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is YUZSSLVFVDOGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-9(21)8-19-25(23,24)10-3-4-13-12(7-10)11-5-6-18-15(14(11)20-13)16(22)17-2/h3-7,9,19-21H,8H2,1-2H3,(H,17,22).
What are the key properties of 6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide?
6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropylsulfamoyl)-N-methyl-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 53380635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).