5-chloro-2-(3-methoxypropylsulfonyl)aniline

C10H14ClNO3S — CID 81174746

IUPAC5-chloro-2-(3-methoxypropylsulfonyl)aniline
SMILESCOCCCS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H14ClNO3S/c1-15-5-2-6-16(13,14)10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyBKQYIPMZWBFXRP-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.73
Rot. Bonds5

About 5-chloro-2-(3-methoxypropylsulfonyl)aniline

5-chloro-2-(3-methoxypropylsulfonyl)aniline (PubChem CID 81174746) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-chloro-2-(3-methoxypropylsulfonyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(3-methoxypropylsulfonyl)aniline
PubChem CID81174746
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name5-chloro-2-(3-methoxypropylsulfonyl)aniline
SMILESCOCCCS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H14ClNO3S/c1-15-5-2-6-16(13,14)10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyBKQYIPMZWBFXRP-UHFFFAOYSA-N
XLogP1.73
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(3-methoxypropylsulfonyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(2-methylpropylsulfonyl)aniline
CID 81175352
5-chloro-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]aniline
CID 81175336
2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81175101
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81174855
3-methoxy-4-[3-(2-methoxyethoxy)propylsulfonyl]aniline
CID 103416112
4-ethoxy-2-(4-methoxybutylsulfonyl)aniline
CID 104650980
5-methyl-2-[3-(2,2,2-trifluoroethoxy)propylsulfonyl]aniline
CID 81191592
2-(2-tert-butylsulfonylethylsulfonyl)-4-chloroaniline
CID 106735680
5-chloro-2-[[3-methoxypropyl(methyl)amino]methyl]aniline
CID 62984797
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
CID 107465946

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methoxypropylsulfonyl)aniline?
The IUPAC name of 5-chloro-2-(3-methoxypropylsulfonyl)aniline (CID 81174746) is 5-chloro-2-(3-methoxypropylsulfonyl)aniline.
What is the SMILES notation for 5-chloro-2-(3-methoxypropylsulfonyl)aniline?
The canonical SMILES for 5-chloro-2-(3-methoxypropylsulfonyl)aniline is COCCCS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(3-methoxypropylsulfonyl)aniline?
The InChIKey is BKQYIPMZWBFXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-15-5-2-6-16(13,14)10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 5-chloro-2-(3-methoxypropylsulfonyl)aniline?
5-chloro-2-(3-methoxypropylsulfonyl)aniline has a molecular weight of 263.75 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methoxypropylsulfonyl)aniline is sourced from PubChem (CID 81174746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).