9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride

C20H26Cl2N2O4S — CID 45262201

IUPAC9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C20H25ClN2O4S.ClH/c21-18-9-11-19(12-10-18)28(26,27)23-15-17(16-7-5-13-22-14-16)6-3-1-2-4-8-20(24)25;/h5,7,9-14,17,23H,1-4,6,8,15H2,(H,24,25);1H
InChIKeyKANLYGHVMAEXCB-UHFFFAOYSA-N
MW461.41 g/mol
LogP4.64
Rot. Bonds12

About 9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride

9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride (PubChem CID 45262201) has the molecular formula C20H26Cl2N2O4S and a molecular weight of 461.41 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride.

Molecular Properties

Compound Name9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride
PubChem CID45262201
Molecular FormulaC20H26Cl2N2O4S
Molecular Weight461.41 g/mol
Exact Mass460.10
IUPAC Name9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C20H25ClN2O4S.ClH/c21-18-9-11-19(12-10-18)28(26,27)23-15-17(16-7-5-13-22-14-16)6-3-1-2-4-8-20(24)25;/h5,7,9-14,17,23H,1-4,6,8,15H2,(H,24,25);1H
InChIKeyKANLYGHVMAEXCB-UHFFFAOYSA-N
XLogP4.64
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid
CID 10002506
6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride
CID 45262145
2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid
CID 68672777
methyl 8-[(4-nitrophenyl)sulfonylamino]-7-pyridin-3-yloctanoate
CID 10478117
methyl 3-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexan-2-yl]phenyl]propanoate
CID 139700235
6-[4-[2-[(4-bromophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhexanoic acid
CID 15713286
8-[(4-chlorophenyl)sulfonylamino]-4-(2-pyridin-3-yloxyethyl)octanoic acid
CID 10321764
methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylphenyl)octanoate
CID 19874753
8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid
CID 139616948
5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride
CID 19032984
8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid
CID 57268349
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780

Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride?
The IUPAC name of 9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride (CID 45262201) is 9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride.
What is the SMILES notation for 9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride?
The canonical SMILES for 9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride is Cl.O=C(O)CCCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of 9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride?
The InChIKey is KANLYGHVMAEXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S.ClH/c21-18-9-11-19(12-10-18)28(26,27)23-15-17(16-7-5-13-22-14-16)6-3-1-2-4-8-20(24)25;/h5,7,9-14,17,23H,1-4,6,8,15H2,(H,24,25);1H.
What are the key properties of 9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride?
9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride has a molecular weight of 461.41 g/mol, XLogP of 4.64, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride is sourced from PubChem (CID 45262201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).