2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide

C7H17ClN2O4S2 — CID 107651990

IUPAC2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide
SMILESCC(C)(CNS(=O)(=O)CCCl)NS(C)(=O)=O
InChIInChI=1S/C7H17ClN2O4S2/c1-7(2,10-15(3,11)12)6-9-16(13,14)5-4-8/h9-10H,4-6H2,1-3H3
InChIKeyDOMWBGJOTPBKFA-UHFFFAOYSA-N
MW292.81 g/mol
LogP-0.53
Rot. Bonds7

About 2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide

2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide (PubChem CID 107651990) has the molecular formula C7H17ClN2O4S2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide
PubChem CID107651990
Molecular FormulaC7H17ClN2O4S2
Molecular Weight292.81 g/mol
Exact Mass292.03
IUPAC Name2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide
SMILESCC(C)(CNS(=O)(=O)CCCl)NS(C)(=O)=O
InChIInChI=1S/C7H17ClN2O4S2/c1-7(2,10-15(3,11)12)6-9-16(13,14)5-4-8/h9-10H,4-6H2,1-3H3
InChIKeyDOMWBGJOTPBKFA-UHFFFAOYSA-N
XLogP-0.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
CID 63902709
3-chloro-N-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]propanamide
CID 63860131
3-chloro-N-[2-(dimethylamino)-2-methylpropyl]propane-1-sulfonamide
CID 61249127
N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63860393
2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
CID 81245129
6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-sulfonamide
CID 63864494
N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide
CID 83156501
N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80838189
3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114943825
N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide
CID 64630784
N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106932132

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide (CID 107651990) is 2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide is CC(C)(CNS(=O)(=O)CCCl)NS(C)(=O)=O.
What is the InChIKey of 2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide?
The InChIKey is DOMWBGJOTPBKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClN2O4S2/c1-7(2,10-15(3,11)12)6-9-16(13,14)5-4-8/h9-10H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide?
2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide has a molecular weight of 292.81 g/mol, XLogP of -0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]ethanesulfonamide is sourced from PubChem (CID 107651990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).