6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride

C17H20Cl2N2O4S — CID 45262145

IUPAC6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride
SMILESCl.O=C(O)CCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C17H19ClN2O4S.ClH/c18-15-6-8-16(9-7-15)25(23,24)20-12-14(3-1-5-17(21)22)13-4-2-10-19-11-13;/h2,4,6-11,14,20H,1,3,5,12H2,(H,21,22);1H
InChIKeyKCUOATAGAYBWMZ-UHFFFAOYSA-N
MW419.33 g/mol
LogP3.47
Rot. Bonds9

About 6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride

6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride (PubChem CID 45262145) has the molecular formula C17H20Cl2N2O4S and a molecular weight of 419.33 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride.

Molecular Properties

Compound Name6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride
PubChem CID45262145
Molecular FormulaC17H20Cl2N2O4S
Molecular Weight419.33 g/mol
Exact Mass418.05
IUPAC Name6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride
SMILESCl.O=C(O)CCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C17H19ClN2O4S.ClH/c18-15-6-8-16(9-7-15)25(23,24)20-12-14(3-1-5-17(21)22)13-4-2-10-19-11-13;/h2,4,6-11,14,20H,1,3,5,12H2,(H,21,22);1H
InChIKeyKCUOATAGAYBWMZ-UHFFFAOYSA-N
XLogP3.47
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride
CID 45262201
9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid
CID 10002506
2-benzyl-7-[(4-chlorophenyl)sulfonylamino]-6-pyridin-3-ylheptanoic acid
CID 68672777
methyl 3-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexan-2-yl]phenyl]propanoate
CID 139700235
methyl 8-[(4-nitrophenyl)sulfonylamino]-7-pyridin-3-yloctanoate
CID 10478117
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
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride
CID 19032984
3-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-imidazol-1-ylhexan-2-yl]phenyl]propanoic acid
CID 139688596
5-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid
CID 67706916

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride?
The IUPAC name of 6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride (CID 45262145) is 6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride.
What is the SMILES notation for 6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride?
The canonical SMILES for 6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride is Cl.O=C(O)CCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of 6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride?
The InChIKey is KCUOATAGAYBWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S.ClH/c18-15-6-8-16(9-7-15)25(23,24)20-12-14(3-1-5-17(21)22)13-4-2-10-19-11-13;/h2,4,6-11,14,20H,1,3,5,12H2,(H,21,22);1H.
What are the key properties of 6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride?
6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride has a molecular weight of 419.33 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)sulfonylamino]-5-pyridin-3-ylhexanoic acid;hydrochloride is sourced from PubChem (CID 45262145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).