5-anilinopentane-1-sulfonyl chloride

C11H16ClNO2S — CID 88814944

IUPAC5-anilinopentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCNc1ccccc1
InChIInChI=1S/C11H16ClNO2S/c12-16(14,15)10-6-2-5-9-13-11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKeyXGLIFSUJYKBVHM-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.84
Rot. Bonds7

About 5-anilinopentane-1-sulfonyl chloride

5-anilinopentane-1-sulfonyl chloride (PubChem CID 88814944) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 5-anilinopentane-1-sulfonyl chloride.

Molecular Properties

Compound Name5-anilinopentane-1-sulfonyl chloride
PubChem CID88814944
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name5-anilinopentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCNc1ccccc1
InChIInChI=1S/C11H16ClNO2S/c12-16(14,15)10-6-2-5-9-13-11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKeyXGLIFSUJYKBVHM-UHFFFAOYSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pentylsulfonylpropyl)aniline
CID 107757198
N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide
CID 70939729
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
10-anilinodecan-1-ol
CID 10955954
N-(5-bromopentyl)aniline
CID 20759134
N-nonadecylaniline
CID 54509054
N'-phenylheptane-1,7-diamine
CID 61149618
4-phenylbutane-1-sulfonyl chloride
CID 13237419
N-heptylaniline;hydrate
CID 174886464
5-anilinopentanoic acid
CID 28972030
3-anilinopropan-1-ol;phosphoric acid
CID 66984453
2-(3-anilinopropylsulfonyl)acetamide
CID 114231941

Frequently Asked Questions

What is the IUPAC name of 5-anilinopentane-1-sulfonyl chloride?
The IUPAC name of 5-anilinopentane-1-sulfonyl chloride (CID 88814944) is 5-anilinopentane-1-sulfonyl chloride.
What is the SMILES notation for 5-anilinopentane-1-sulfonyl chloride?
The canonical SMILES for 5-anilinopentane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCCNc1ccccc1.
What is the InChIKey of 5-anilinopentane-1-sulfonyl chloride?
The InChIKey is XGLIFSUJYKBVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c12-16(14,15)10-6-2-5-9-13-11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2.
What are the key properties of 5-anilinopentane-1-sulfonyl chloride?
5-anilinopentane-1-sulfonyl chloride has a molecular weight of 261.77 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilinopentane-1-sulfonyl chloride is sourced from PubChem (CID 88814944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).