2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid

C13H16ClN5O4S — CID 122069985

IUPAC2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)O
InChIInChI=1S/C13H16ClN5O4S/c1-2-3-4-11(13(20)21)17-24(22,23)8-5-6-10(14)9(7-8)12-15-18-19-16-12/h5-7,11,17H,2-4H2,1H3,(H,20,21)(H,15,16,18,19)
InChIKeyMHGROMYQSDKDFN-UHFFFAOYSA-N
MW373.82 g/mol
LogP1.44
Rot. Bonds8

About 2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid

2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid (PubChem CID 122069985) has the molecular formula C13H16ClN5O4S and a molecular weight of 373.82 g/mol. Its IUPAC name is 2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid
PubChem CID122069985
Molecular FormulaC13H16ClN5O4S
Molecular Weight373.82 g/mol
Exact Mass373.06
IUPAC Name2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)O
InChIInChI=1S/C13H16ClN5O4S/c1-2-3-4-11(13(20)21)17-24(22,23)8-5-6-10(14)9(7-8)12-15-18-19-16-12/h5-7,11,17H,2-4H2,1H3,(H,20,21)(H,15,16,18,19)
InChIKeyMHGROMYQSDKDFN-UHFFFAOYSA-N
XLogP1.44
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
2-[(2,4,6-trichlorophenyl)sulfonylamino]hexanoic acid
CID 43470072
2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid
CID 3796406
2-[[4-(dimethylamino)phenyl]sulfonylamino]hexanoic acid
CID 122070000
2-[(4-ethoxycarbonylphenyl)sulfonylamino]hexanoic acid
CID 91901067
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 82155470
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid?
The IUPAC name of 2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid (CID 122069985) is 2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)O.
What is the InChIKey of 2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid?
The InChIKey is MHGROMYQSDKDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O4S/c1-2-3-4-11(13(20)21)17-24(22,23)8-5-6-10(14)9(7-8)12-15-18-19-16-12/h5-7,11,17H,2-4H2,1H3,(H,20,21)(H,15,16,18,19).
What are the key properties of 2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid?
2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid has a molecular weight of 373.82 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid is sourced from PubChem (CID 122069985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).