2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid

C11H13ClN2O4S — CID 43656189

IUPAC2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H13ClN2O4S/c12-11-9(2-1-5-13-11)19(17,18)14(7-10(15)16)6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,15,16)
InChIKeyBPJQOMCWTQRMKP-UHFFFAOYSA-N
MW304.75 g/mol
LogP1.22
Rot. Bonds6

About 2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid

2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656189) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656189
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.75 g/mol
Exact Mass304.03
IUPAC Name2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H13ClN2O4S/c12-11-9(2-1-5-13-11)19(17,18)14(7-10(15)16)6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,15,16)
InChIKeyBPJQOMCWTQRMKP-UHFFFAOYSA-N
XLogP1.22
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
2-[(2-chloro-3-pyridinyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257826
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
CID 60828632
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091
2-[1-benzofuran-3-ylsulfonyl(cyclopropylmethyl)amino]acetic acid
CID 166257887
2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid
CID 62375284
4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 43422935
2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid
CID 43656251
2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide
CID 61215503
ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
CID 61045378
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid
CID 43656223

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid (CID 43656189) is 2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is BPJQOMCWTQRMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c12-11-9(2-1-5-13-11)19(17,18)14(7-10(15)16)6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,15,16).
What are the key properties of 2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid?
2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 304.75 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).