N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide

C16H13ClN4O5S — CID 25359424

IUPACN'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C16H13ClN4O5S/c1-20-9-12(11-4-2-3-5-14(11)20)16(22)18-19-27(25,26)10-6-7-13(17)15(8-10)21(23)24/h2-9,19H,1H3,(H,18,22)
InChIKeyUUHQIPVYQBMIRI-UHFFFAOYSA-N
MW408.82 g/mol
LogP2.36
Rot. Bonds5

About N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide

N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide (PubChem CID 25359424) has the molecular formula C16H13ClN4O5S and a molecular weight of 408.82 g/mol. Its IUPAC name is N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide
PubChem CID25359424
Molecular FormulaC16H13ClN4O5S
Molecular Weight408.82 g/mol
Exact Mass408.03
IUPAC NameN'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C16H13ClN4O5S/c1-20-9-12(11-4-2-3-5-14(11)20)16(22)18-19-27(25,26)10-6-7-13(17)15(8-10)21(23)24/h2-9,19H,1H3,(H,18,22)
InChIKeyUUHQIPVYQBMIRI-UHFFFAOYSA-N
XLogP2.36
TPSA123.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide
CID 7594196
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040
1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide
CID 8823945
N-tert-butyl-2-chloro-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 31737799
[(4-chloro-3-nitrophenyl)sulfonylamino]thiourea
CID 65214693
1-[4-[[(1-methylindole-3-carbonyl)amino]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 55614780
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide
CID 27658436
N-(2-acetylphenyl)-4-chloro-3-nitrobenzenesulfonamide
CID 4270377
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
1-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710604
1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide
CID 40717460
(1-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone
CID 163878841

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide (CID 25359424) is N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide is Cn1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21.
What is the InChIKey of N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide?
The InChIKey is UUHQIPVYQBMIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O5S/c1-20-9-12(11-4-2-3-5-14(11)20)16(22)18-19-27(25,26)10-6-7-13(17)15(8-10)21(23)24/h2-9,19H,1H3,(H,18,22).
What are the key properties of N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide?
N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide has a molecular weight of 408.82 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 25359424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).