4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide

C17H17N5O4S — CID 165134449

IUPAC4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cn3cc(C4CC4)ccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17N5O4S/c18-27(25,26)16-5-4-13(7-15(16)22(23)24)19-8-14-10-21-9-12(11-1-2-11)3-6-17(21)20-14/h3-7,9-11,19H,1-2,8H2,(H2,18,25,26)
InChIKeyILAHRZGSERJIBT-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.38
Rot. Bonds6

About 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide

4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide (PubChem CID 165134449) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide
PubChem CID165134449
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cn3cc(C4CC4)ccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17N5O4S/c18-27(25,26)16-5-4-13(7-15(16)22(23)24)19-8-14-10-21-9-12(11-1-2-11)3-6-17(21)20-14/h3-7,9-11,19H,1-2,8H2,(H2,18,25,26)
InChIKeyILAHRZGSERJIBT-UHFFFAOYSA-N
XLogP2.38
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide
CID 165134574
N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 165131574
tert-butyl N-[5-chloro-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyloxy]-2-nitrophenyl]sulfonylcarbamate
CID 175521496
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
CID 60671510
methyl 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzoate
CID 134017948
2-nitro-4-(thian-4-ylmethylamino)benzenesulfonamide
CID 122153984
tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 165131145
2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide
CID 168730220
3-bromo-N-[(4-cyclopropylphenyl)methyl]-4-nitroaniline
CID 82863062
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1,2-dicarboxamide
CID 175616966
2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane
CID 165131350
4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile
CID 165130842

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide?
The IUPAC name of 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide (CID 165134449) is 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(NCc2cn3cc(C4CC4)ccc3n2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide?
The InChIKey is ILAHRZGSERJIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c18-27(25,26)16-5-4-13(7-15(16)22(23)24)19-8-14-10-21-9-12(11-1-2-11)3-6-17(21)20-14/h3-7,9-11,19H,1-2,8H2,(H2,18,25,26).
What are the key properties of 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide?
4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 165134449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).