3-chloroheptane-1-sulfonamide

C7H16ClNO2S — CID 91258665

IUPAC3-chloroheptane-1-sulfonamide
SMILESCCCCC(Cl)CCS(N)(=O)=O
InChIInChI=1S/C7H16ClNO2S/c1-2-3-4-7(8)5-6-12(9,10)11/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyKSEHTJKNBNBAJA-UHFFFAOYSA-N
MW213.73 g/mol
LogP1.46
Rot. Bonds6

About 3-chloroheptane-1-sulfonamide

3-chloroheptane-1-sulfonamide (PubChem CID 91258665) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 3-chloroheptane-1-sulfonamide.

Molecular Properties

Compound Name3-chloroheptane-1-sulfonamide
PubChem CID91258665
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name3-chloroheptane-1-sulfonamide
SMILESCCCCC(Cl)CCS(N)(=O)=O
InChIInChI=1S/C7H16ClNO2S/c1-2-3-4-7(8)5-6-12(9,10)11/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyKSEHTJKNBNBAJA-UHFFFAOYSA-N
XLogP1.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane-1-sulfonamide;dihydrochloride
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5-chlorononane;phosphoric acid
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pentacosane-1-sulfonamide
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3-chlorohexane-1-sulfonyl chloride
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17-chlorotritriacontane
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1,5-dichlorononane
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2-chloro-1-(2-chlorohexylseleninyl)hexane
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3-chloroheptanamide
CID 174735984
CID 160808484
CID 160808484
methane;propane-1-sulfonamide
CID 159650684
2-(2-chloroethylsulfonyl)hexan-1-amine
CID 19834427

Frequently Asked Questions

What is the IUPAC name of 3-chloroheptane-1-sulfonamide?
The IUPAC name of 3-chloroheptane-1-sulfonamide (CID 91258665) is 3-chloroheptane-1-sulfonamide.
What is the SMILES notation for 3-chloroheptane-1-sulfonamide?
The canonical SMILES for 3-chloroheptane-1-sulfonamide is CCCCC(Cl)CCS(N)(=O)=O.
What is the InChIKey of 3-chloroheptane-1-sulfonamide?
The InChIKey is KSEHTJKNBNBAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO2S/c1-2-3-4-7(8)5-6-12(9,10)11/h7H,2-6H2,1H3,(H2,9,10,11).
What are the key properties of 3-chloroheptane-1-sulfonamide?
3-chloroheptane-1-sulfonamide has a molecular weight of 213.73 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroheptane-1-sulfonamide is sourced from PubChem (CID 91258665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).