N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide

C19H26N4O3S — CID 47954940

IUPACN,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NC2CCCc3c2cnn3C)cc1
InChIInChI=1S/C19H26N4O3S/c1-4-23(5-2)19(24)14-9-11-15(12-10-14)27(25,26)21-17-7-6-8-18-16(17)13-20-22(18)3/h9-13,17,21H,4-8H2,1-3H3
InChIKeyNIHDPGICRGARHE-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.26
Rot. Bonds6

About N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide

N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide (PubChem CID 47954940) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide
PubChem CID47954940
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NC2CCCc3c2cnn3C)cc1
InChIInChI=1S/C19H26N4O3S/c1-4-23(5-2)19(24)14-9-11-15(12-10-14)27(25,26)21-17-7-6-8-18-16(17)13-20-22(18)3/h9-13,17,21H,4-8H2,1-3H3
InChIKeyNIHDPGICRGARHE-UHFFFAOYSA-N
XLogP2.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide
CID 34125322
3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide
CID 56731325
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 51961532
3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 34125604
1-ethyl-1-[(3-fluorophenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 52658204
ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 59152980
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide
CID 43254668
1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea
CID 83117026
2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 94113755
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide (CID 47954940) is N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)NC2CCCc3c2cnn3C)cc1.
What is the InChIKey of N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide?
The InChIKey is NIHDPGICRGARHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-23(5-2)19(24)14-9-11-15(12-10-14)27(25,26)21-17-7-6-8-18-16(17)13-20-22(18)3/h9-13,17,21H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide?
N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide is sourced from PubChem (CID 47954940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).