5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride

C19H23Cl2N3O6S — CID 19032984

IUPAC5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCNC(=O)C(COc1cccnc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O6S.ClH/c20-14-6-8-16(9-7-14)30(27,28)23-17(13-29-15-4-3-10-21-12-15)19(26)22-11-2-1-5-18(24)25;/h3-4,6-10,12,17,23H,1-2,5,11,13H2,(H,22,26)(H,24,25);1H
InChIKeyKBBUQWGPPDAXKE-UHFFFAOYSA-N
MW492.38 g/mol
LogP2.25
Rot. Bonds12

About 5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride

5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride (PubChem CID 19032984) has the molecular formula C19H23Cl2N3O6S and a molecular weight of 492.38 g/mol. Its IUPAC name is 5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride
PubChem CID19032984
Molecular FormulaC19H23Cl2N3O6S
Molecular Weight492.38 g/mol
Exact Mass491.07
IUPAC Name5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCNC(=O)C(COc1cccnc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O6S.ClH/c20-14-6-8-16(9-7-14)30(27,28)23-17(13-29-15-4-3-10-21-12-15)19(26)22-11-2-1-5-18(24)25;/h3-4,6-10,12,17,23H,1-2,5,11,13H2,(H,22,26)(H,24,25);1H
InChIKeyKBBUQWGPPDAXKE-UHFFFAOYSA-N
XLogP2.25
TPSA134.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid
CID 67706916
methyl 4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]butanoate
CID 67706825
3-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]benzoic acid;hydrochloride
CID 19032978
5-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]pentanoic acid;hydrochloride
CID 19032788
7-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]heptanoic acid;hydrochloride
CID 19032894
6-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]hexanoic acid
CID 19032816
8-[(4-chlorophenyl)sulfonylamino]-4-(2-pyridin-3-yloxyethyl)octanoic acid
CID 10321764
9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride
CID 45262201
methyl (4S)-8-[(4-chlorophenyl)sulfonylamino]-4-(2-pyridin-3-yloxyethyl)octanoate
CID 10096207
6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride
CID 45262145
9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid
CID 10002506
2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride
CID 174365161

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride?
The IUPAC name of 5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride (CID 19032984) is 5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride.
What is the SMILES notation for 5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride?
The canonical SMILES for 5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride is Cl.O=C(O)CCCCNC(=O)C(COc1cccnc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride?
The InChIKey is KBBUQWGPPDAXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O6S.ClH/c20-14-6-8-16(9-7-14)30(27,28)23-17(13-29-15-4-3-10-21-12-15)19(26)22-11-2-1-5-18(24)25;/h3-4,6-10,12,17,23H,1-2,5,11,13H2,(H,22,26)(H,24,25);1H.
What are the key properties of 5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride?
5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride has a molecular weight of 492.38 g/mol, XLogP of 2.25, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride is sourced from PubChem (CID 19032984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).