N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide

C10H17ClN2O3S — CID 63397028

IUPACN-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCCl)C(C)C
InChIInChI=1S/C10H17ClN2O3S/c1-7(2)13(6-5-11)17(14,15)10-8(3)12-16-9(10)4/h7H,5-6H2,1-4H3
InChIKeyXBHBPIHZGPBOOQ-UHFFFAOYSA-N
MW280.78 g/mol
LogP1.93
Rot. Bonds5

About N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide

N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide (PubChem CID 63397028) has the molecular formula C10H17ClN2O3S and a molecular weight of 280.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
PubChem CID63397028
Molecular FormulaC10H17ClN2O3S
Molecular Weight280.78 g/mol
Exact Mass280.06
IUPAC NameN-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCCl)C(C)C
InChIInChI=1S/C10H17ClN2O3S/c1-7(2)13(6-5-11)17(14,15)10-8(3)12-16-9(10)4/h7H,5-6H2,1-4H3
InChIKeyXBHBPIHZGPBOOQ-UHFFFAOYSA-N
XLogP1.93
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 4750113
3,5-Dimethylisoxazole-4-sulfonyl chloride
CID 2736319
3,5-Dimethylisoxazole-4-sulfonamide
CID 4962303
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethylmethanimidamide
CID 9583533
4-(2-Ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
CID 47104037
4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine
CID 2805725
3,5-Dimethyl-4-pyrrolidin-1-ylsulfonyl-1,2-oxazole
CID 2805726
1-[(Dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine hydrochloride
CID 46743491
1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidine
CID 2741503
2-Chloro-1-{4-[(dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl}ethan-1-one
CID 16227197
3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
CID 6624547
N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 8467975

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide (CID 63397028) is N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(CCCl)C(C)C.
What is the InChIKey of N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide?
The InChIKey is XBHBPIHZGPBOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O3S/c1-7(2)13(6-5-11)17(14,15)10-8(3)12-16-9(10)4/h7H,5-6H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide?
N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide has a molecular weight of 280.78 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 63397028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).